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Chloropicrin

fo-c0884011d1467417

Identity

Type
Neutral molecule
CAS
76-06-2
EC
200-930-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chloropicrin

What it is used for

5

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
nematicide CHEBI:25491 A substance used to destroy pests of the phylum Nematoda (roundworms). ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LFHISGNCFUNFFM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
IUPAC name chemrof:IUPAC_name Chloropicrin
Molecular formula chemrof:molecular_formula CCl3NO2
Molecular mass chemrof:molecular_mass 164.375
Monoisotopic mass chemrof:monoisotopic_mass 162.89946, 162.899461
SMILES string chemrof:smiles_string O=[N+]([O-])C(Cl)(Cl)Cl

Known URLs

37

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=76-06-2 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/PB602160.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39285 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.847 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0750 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020315 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8743 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1327143 enrich_references.pubchem_identifier_url
gmelin gmelin:240197 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I4JTX7Z7U2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062271 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2904.91.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.402C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18445 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18445 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56220 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163640 enrich_references.pubchem_identifier_url
pesticides pesticides:chloropicrin enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/79RH5Z958PAZ enrich_references.pubchem_identifier_url
ppdb ppdb:148 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6423 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1580 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1583 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18207489 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19287772 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22516760 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23958081 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24475954 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24548678 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24618853 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25279758 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25531174 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2920227 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3605008 enrich_references.chebi_xrefs
reaxys reaxys:1756135 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q423065 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chloropicrin enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e2fab6aa-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-920c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8acb44da-2a88-4b7d-bf23-e63bcd225ac1 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9664-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-920d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9663-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
e2fab6a8-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
e2fab6ab-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
48e9424aa752f61dd85902ba537911aa5458bbb5 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e2fab6ad-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
e2fab6af-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fab6ac-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
e2fab6a9-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
e2fab6ae-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c0884011d1467417",
  "prefLabel": [
    {
      "@value": "Chloropicrin",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
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    },
    {
      "@value": "Acquinite",
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    },
    {
      "@value": "CCl3NO2",
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      "provenance": {
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    },
    {
      "@value": "Chlor-O-Pic",
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        ],
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      }
    },
    {
      "@value": "Chlorpicrin",
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    },
    {
      "@value": "Chlorpikrin",
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      "@value": "Larvacide",
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    },
    {
      "@value": "Methane, trichloronitro-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Microlysin",
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      "provenance": {
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    },
    {
      "@value": "Nitrochloroform",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Nitrotrichloromethane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Picfume",
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        ],
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    },
    {
      "@value": "Quasar",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichlornitromethan",
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      "provenance": {
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    },
    {
      "@value": "trichloro(nitro)methane",
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    },
    {
      "@value": "trichloronitromethane",
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      }
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "CCl3NO2"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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        },
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      ],
      "attested_by": {
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