2-amino-4-chloro-5-methylbenzenesulfonic Acid
fo-73441399b18b4d2a
Identity
- Type
- Neutral molecule
- CAS
- 88-51-7
- EC
- 201-837-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
14- 1-Amino-3-chloro-4-methylbenzene-6-sulfonic acid
- 1-Amino-4-methyl-5-chlorobenzene-2-sulfonic acid
- 2-Amino-4-chloro-5-methyl-1-benzenesulfonic acid
- 2-Chloro-4-aminotoluene-5-sulfonic acid
- 2-Chloro-4-toluidine-5-sulfonic acid
- 2-Chloro-p-toluidine-5-sulfonic acid
- 2B Acid
- 3-Chloro-4-methylaniline-6-sulfonic acid
- 4-Amino-2-chlorotoluene-5-sulfonic acid
- 4-Amino-6-chlorotoluene-3-sulfonic acid
- 6-Amino-4-chloro-m-toluenesulfonic acid
- Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-
- Brilliant Toning Red Amine
- m-Toluenesulfonic acid, 6-amino-4-chloro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VRLPHBSFRWMMPW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12) |
| IUPAC name chemrof:IUPAC_name | 2-amino-4-chloro-5-methylbenzenesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C7H8ClNO3S |
| Molecular mass chemrof:molecular_mass | 221.665 |
| Monoisotopic mass chemrof:monoisotopic_mass | 220.991342 |
| SMILES string chemrof:smiles_string | Cc1cc(S(=O)(=O)O)c(N)cc1Cl |
Known URLs
9Where 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=88-51-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.670 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2026527 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3560120 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9QN6JT928N | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2921.43.90.20 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J156.650D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6935 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27272900 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 75126985-059e-4b54-808d-cf7c3b3b9cf7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 92e9a74e-0e00-454c-a443-e18881223ab8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e577abc6-0a3c-4ca8-82ab-7759dd234542 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f041ec74-4be3-4d28-95bd-37b5713d560a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 16c2ee14-21ee-4003-9e4b-53381d7f8920 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 398202b9-628d-498d-bbb4-b01351f86b6a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 038c146a-51b6-4a6b-9365-20e934b542b4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 42f731d4-a73f-48c6-8607-e04ad9337972 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 89f67163-1f43-424e-89e4-3875f2edbf4d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 8a963b45-798c-4e0b-b93a-0ca908e03087 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d9baac2d-56c4-4d18-9fa6-0d954730bdb0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 64097c7a-090b-47b7-a886-028011e3b53a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fc0e5907-590e-47e5-ae70-f0161be8b8a9 | 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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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=88-51-7"
}
],
"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": [
"201-837-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=201-837-6"
],
"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