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4,4'-methylene-bis(2-chloroaniline) Dihydrochloride

fo-db4ddcefac1689b3

Identity

Type
Molecular complex
CAS
64049-29-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4,4'-methylene-bis(2-chloroaniline) Dihydrochloride

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XLQJBBWGIDGYQI-UHFFFAOYSA-N, YEPFYODWRQJPHO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H12Cl2N2.2ClH/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9;;/h1-4,6-7H,5,16-17H2;2*1H
IUPAC name chemrof:IUPAC_name 4,4'-methylene-bis(2-chloroaniline) Dihydrochloride
Molecular formula chemrof:molecular_formula C13H13Cl3N2, C13H14Cl4N2
SMILES string chemrof:smiles_string Cl.Cl.Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl

Known URLs

6

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=64049-29-2 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020866 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131856685 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/46873 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284426 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983633 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d77a5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9407-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ffa08cf0-3aec-4415-bd3b-b0454a54a258 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9406-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9408-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9405-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9403-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-940c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9404-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-940a-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a264-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9409-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-940b-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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      ],
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        ],
        "C13H14Cl4N2": [
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          "rdkit_post_consensus"
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      },
      "rdfs:label": "Molecular formula",
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    },
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      "rdfs:label": "SMILES",
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      "provenance": [
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      "@value": [
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "4,4'-methylene-bis(2-chloroaniline) Dihydrochloride"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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        ]
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  },
  "references": [
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  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-a264-0050c2490048",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=64049-29-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "@type": [
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  ]
}

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