Isophthaloyl Dichloride
fo-0ad50d68ada682df
Identity
- Type
- Neutral molecule
- CAS
- 99-63-8
- EC
- 202-774-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
17- 1,3-Benzenedicarbonyl chloride
- 1,3-Benzenedicarbonyl dichloride
- 1,3-Benzenedicarboxylic dichloride
- 1,3-Bis(chlorocarbonyl)benzene
- 1,3-Di(chlorocarbonyl)benzene
- Isophthalic acid chloride
- Isophthalic acid dichloride
- Isophthalic chloride
- Isophthaloyl chloride
- Isophthalyl chloride
- Isophthalyl dichloride
- Isoterephthaloyl dichloride
- Isothaloyl chloride
- m-Benzenedicarbonyl chloride
- m-Phthalic dichloride
- m-Phthaloyl chloride
- m-Phthaloyl dichloride
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FDQSRULYDNDXQB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H |
| IUPAC name chemrof:IUPAC_name | Isophthaloyl Dichloride |
| Molecular formula chemrof:molecular_formula | C8H4Cl2O2 |
| Molecular mass chemrof:molecular_mass | 203.024 |
| Monoisotopic mass chemrof:monoisotopic_mass | 201.958835 |
| SMILES string chemrof:smiles_string | O=C(Cl)c1cccc(C(=O)Cl)c1 |
Known URLs
10Where 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=30942-71-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=99-63-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.522 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026641 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41884 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1885739 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6A3LDJ6CL3 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.971I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7451 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27264395 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a86a248d-5ccf-411e-a28d-5d3ff2a1a518 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 2f680c50-d559-441a-8bd3-98513b8c4cac | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 71424a34-517e-4bd5-ba85-d16f837a483b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 74516d5d-44ae-4462-827b-6e356226ac71 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d2d2f0dc-eab8-4f3d-92a8-f8dffe3078f5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 70711766-eb31-4a8b-9da4-99c55249b347 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5a040ca6-9292-4db5-9094-94f7e6cf5b3a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 06764663-871c-467f-ba7e-c4598f0b6700 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6c8e844a-d8de-4d03-ab12-6fd167e5be5b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f64b0abf-5c48-4cb1-a9eb-aa5307b4bfcf | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2c7e7b4f-fcac-4f92-a127-1b131e00ed3e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3cdc54af-94ba-4dea-be47-c3f20b65c3e2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9720fd4f-68ff-4e77-95d3-5c15c4a21d65 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06764663-871c-467f-ba7e-c4598f0b6700",
"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": [
"99-63-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=99-63-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=99-63-8"
}
],
"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": [
"202-774-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-774-7"
],
"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