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

Flow Object IDfo-db4ddcefac1689b3
TypeConsensus
prefLabel
Label Language
4,4'-methylene-bis(2-chloroaniline) Dihydrochloride en
CAS Numbers64049-29-2
Changes Applied13

Properties

Predicate Value
InChIKey XLQJBBWGIDGYQI-UHFFFAOYSA-N, YEPFYODWRQJPHO-UHFFFAOYSA-N
InChI 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, InChI=1S/C13H12Cl2N2.ClH/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;1H
IUPAC name 4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-aniline;dihydrochloride, 4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-aniline;hydrochloride, 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline;dihydrochloride, 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline;hydrochloride, 4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline;dihydrochloride, 4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline;hydrochloride, [4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]amine;dihydrochloride, [4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]amine;hydrochloride, [4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]ammonium chloride, [4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-phenyl]ammonium chloride, [4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]ammonium chloride, [4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]azanium chloride, [4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-phenyl]azanium chloride
Molecular formula C13H13Cl3N2, C13H14Cl4N2
SMILES C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl, C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl, C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)[NH3+].[Cl-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3e4d77a5… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 2 1
ffa08cf0… EF 3.1 kg Environmental → Air → Unknown 2 1
4d9a8790… EF 3.1 kg Environmental → Ground → Agricultural 2 1
4d9a8790… EF 3.1 kg Environmental → Ground → Unknown 2 1
08a91e70… EF 3.1 kg Environmental → Water → Ocean 2 1
4d9a8790… EF 3.1 kg Environmental → Water → Surface water 2 1
4d9a8790… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
3e4d77a5… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
4d9a8790… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}
ffa08cf0… cas_match_labels — {"64049-29-2":"exactMatch"} group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'}

Flow Object JSON

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      "@value": [
        "C13H13Cl3N2",
        "C13H14Cl4N2"
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        "C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl",
        "C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)[NH3+].[Cl-]"
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        "InChI=1S/C13H12Cl2N2.ClH/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;1H"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-aniline;dihydrochloride",
        "4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-aniline;hydrochloride",
        "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline;dihydrochloride",
        "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline;hydrochloride",
        "4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline;dihydrochloride",
        "4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline;hydrochloride",
        "[4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]amine;dihydrochloride",
        "[4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]amine;hydrochloride",
        "[4-(4-amino-3-chloro-benzyl)-2-chloro-phenyl]ammonium chloride",
        "[4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-phenyl]ammonium chloride",
        "[4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]ammonium chloride",
        "[4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]azanium chloride",
        "[4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-phenyl]azanium chloride"
      ],
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    "seed_uuid": "08a91e70-3ddc-11dd-a264-0050c2490048",
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