O-chlorotoluene

1-Chloro-2-methylbenzene
1-Methyl-2-chlorobenzene
2-Chloro-1-methylbenzene
2-Chlorotoluene
2-Methyl-1-chlorobenzene
2-Methylchlorobenzene
2-Methylphenyl chloride
2-Tolyl chloride
Benzene, 1-chloro-2-methyl-
o-Methylchlorobenzene
o-Tolyl chloride
Toluene, o-chloro-
Toluene, 2-chloro

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IBSQPLPBRSHTTG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	1-Chloro-2-methylbenzene
Molecular formula chemrof:molecular_formula	C7H7Cl
Molecular mass chemrof:molecular_mass	126.586
Monoisotopic mass chemrof:monoisotopic_mass	126.023628
SMILES string chemrof:smiles_string	Cc1ccccc1Cl

Where 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=95-49-8	enrich_references.consensus_cas_link
cdc.gov	https://www.cdc.gov/niosh-rtecs/XS895440.html	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.205	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1458	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8023977	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8766	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797265	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2G7D0YDV9H	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.564E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7238	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2238	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q17276347	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e2fb52f9-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac8f-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
e8610326-2526-4610-bf82-f512517907d3	Environmental → Air → Indoor	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac8e-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-ac90-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac8d-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac8b-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	4
08a91e70-3ddc-11dd-99c7-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac8c-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	4
fe0acd60-3ddc-11dd-ac92-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-99c8-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	4
8a873d156fc7436cb5c27221019c54e1bdb89dcd	Environmental → Water → River	bafu algorithm addition	kg	0
fe0acd60-3ddc-11dd-ac91-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	4
e558dfae3709ad91fe6b8f347866f29a82c76192	Environmental → Water → Unconfined aquifer	ecoinvent algorithm addition	kg	0
fe0acd60-3ddc-11dd-ac93-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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    {
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      "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": [
        "95-49-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=95-49-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=95-49-8"
        }
      ],
      "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": [
        "202-424-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-424-3"
      ],
      "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"
  ]
}

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

O-chlorotoluene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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