2-chlorophenyl Methylcarbamate
fo-fd26ee5b70234c0f
Identity
- Type
- Neutral molecule
- CAS
- 3942-54-9
- EC
- 223-524-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
10- 2-Chlorophenyl N-methylcarbamate
- Carbamic acid, methyl-, 2-chlorophenyl ester
- Carbamic acid, methyl-, o-chlorophenyl ester
- Carbamic acid, N-methyl-, 2-chlorophenyl ester
- CPMC
- Etrofol
- Hopcide
- o-Chlorophenyl methylcarbamate
- o-Chlorophenyl N-methylcarbamate
- Ro 7-4780
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZAGNMMRDHSEOPE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | 2-chlorophenyl Methylcarbamate |
| Molecular formula chemrof:molecular_formula | C8H8ClNO2 |
| Molecular mass chemrof:molecular_mass | 185.61 |
| Monoisotopic mass chemrof:monoisotopic_mass | 185.024356 |
| SMILES string chemrof:smiles_string | CNC(=O)Oc1ccccc1Cl |
Known URLs
7Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3942-54-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.387 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3058084 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R4I4K15V9B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.277E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19841 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27287784 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 694eb104-42d2-4d12-b629-014e2743a584 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| dbf248da-b1ac-42fd-abd4-eefb39f8df2b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0c921434-d2a3-4103-8adc-962d93011d74 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7582e311-da94-4a36-8813-b7dbad945c97 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a4b2b1ee-1377-4fda-8048-1aae117fa860 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f4d48dd8-48ff-410b-ac11-1226902d4a9d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b91682f7-8b53-4ab5-83b3-c2ec308bdcb8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c5d2a87e-0dc1-4740-ad17-7d21dfdefd85 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 615d02e7-8494-464a-a1c6-5257c7d3c2e3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 87b5142a-4fc6-4360-81a8-d446b9d3173d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 449d1d5a-dd59-4c5c-902c-a5499ed0409b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| bc56a661-61a2-4629-a208-61cb3f896e0a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 06dd186e-b4fe-46b5-aa43-1d3f5dc9b2ac | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-fd26ee5b70234c0f",
"prefLabel": [
{
"@value": "2-chlorophenyl Methylcarbamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-Chlorophenyl N-methylcarbamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamic acid, methyl-, 2-chlorophenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamic acid, methyl-, o-chlorophenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamic acid, N-methyl-, 2-chlorophenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CPMC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Etrofol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hopcide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "o-Chlorophenyl methylcarbamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "o-Chlorophenyl N-methylcarbamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ro 7-4780",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3942-54-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H8ClNO2"
],
"attested_by": {
"C8H8ClNO2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZAGNMMRDHSEOPE-UHFFFAOYSA-N"
],
"attested_by": {
"ZAGNMMRDHSEOPE-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CNC(=O)Oc1ccccc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-chlorophenyl Methylcarbamate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
],
"attested_by": {
"CNC(=O)Oc1ccccc1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-chlorophenyl Methylcarbamate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-chlorophenyl Methylcarbamate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-chlorophenyl Methylcarbamate"
]
},
"attested_by": {
"2-chlorophenyl Methylcarbamate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
185.61
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)OC1=CC=CC=C1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
],
"attested_by": {
"185.61": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
185.024356
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)OC1=CC=CC=C1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)Oc1ccccc1Cl"
]
}
],
"attested_by": {
"185.024356": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.277E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.021.387",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3942-54-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3058084",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R4I4K15V9B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/19841",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3942-54-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27287784",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19841;CAS:3942-54-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3942-54-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06dd186e-b4fe-46b5-aa43-1d3f5dc9b2ac",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"3942-54-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3942-54-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"223-524-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=223-524-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works