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2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene

UUID 486ce6b3-6337-405a-a36b-16e5b0ab4473
Flow Object IDfo-cab8945cc1ecde98
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 393-75-9
EC Numbers 206-889-3
prefLabel
Language Value Provenance
en 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
altLabel ⓘ
Language Value Provenance
en 1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene
en 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
en 2,6-Dinitro-4-(trifluoromethyl)chlorobenzene
en 3,5-Dinitro-4-chlorobenzotrifluoride
en 3,5-Dinitro-4-chlorotrifluoromethylbenzene
en 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
en 4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene
en 4-Chloro-3,5-dinitrobenzotrifluoride
en 4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene
en Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
en Chloralin
en NSC 88274
en Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-
References
Shared Properties
Predicate Value
InChIKey BCJIDGDYYYBNNB-LBPRGKRZSA-N, HFHAVERNVFNSHL-UHFFFAOYSA-N, ZUFRWFKGEMSVJB-UHFFFAOYSA-N
InChI InChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)/t12-/m0/s1, InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H, InChI=1S/C9H15NO4/c1-13-4-3-10-6-7(5-8(10)11)9(12)14-2/h7H,3-6H2,1-2H3
IUPAC name (2R)-2-cyclopentyl-2-phenyl-acetic acid, (2R)-2-cyclopentyl-2-phenyl-ethanoic acid, (2R)-2-cyclopentyl-2-phenylacetic acid, 1-(2-methoxyethyl)-5-oxo-3-pyrrolidinecarboxylic acid methyl ester, 2-chloranyl-1,3-dinitro-5-(trifluoromethyl)benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene, 5-keto-1-(2-methoxyethyl)pyrrolidine-3-carboxylic acid methyl ester, methyl 1-(2-methoxyethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate, methyl 1-(2-methoxyethyl)-5-oxo-pyrrolidine-3-carboxylate, methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
Molecular formula C13H16O2, C7H2ClF3N2O4, C9H15NO4
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F, C1CCC(C1)C(C2=CC=CC=C2)C(=O)O, C1CCC(C1)[C@H](C2=CC=CC=C2)C(=O)O, COCCN1CC(CC1=O)C(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 486ce6b3-6337-405a-a36b-16e5b0ab4473 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; cas=393-75-9; added Common Chemistry CAS names as altLabel: 1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene, 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene, 2,6-Dinitro-4-(trifluoromethyl)chlorobenzene, 3,5-Dinitro-4-chlorobenzotrifluoride, 3,5-Dinitro-4-chlorotrifluoromethylbenzene, 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene, 4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene, 4-Chloro-3,5-dinitrobenzotrifluoride, 4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene, Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-, Chloralin, NSC 88274, Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-; object_uuid=fo-cab8945cc1ecde98
cas_match_labels 1 — consensus_match group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'393-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cab8945cc1ecde98: {'393-75-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Dinitro-4-(trifluoromethyl)chlorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Dinitro-4-chlorobenzotrifluoride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Dinitro-4-chlorotrifluoromethylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(Trifluoromethyl)-2,6-dinitrochlorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-3,5-dinitrobenzotrifluoride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloralin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 88274', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-75-9', 'https://commonchemistry.cas.org/detail?cas_rn=393-75-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; cas=393-75-9; added Common Chemistry CAS names as altLabel: 1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene, 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene, 2,6-Dinitro-4-(trifluoromethyl)chlorobenzene, 3,5-Dinitro-4-chlorobenzotrifluoride, 3,5-Dinitro-4-chlorotrifluoromethylbenzene, 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene, 4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene, 4-Chloro-3,5-dinitrobenzotrifluoride, 4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene, Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-, Chloralin, NSC 88274, Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-; object_uuid=fo-cab8945cc1ecde98
cas_match_labels None {'393-75-9': 'exactMatch'} group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'393-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cab8945cc1ecde98: {'393-75-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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