3-chloro-6-nitrotoluene

← Back to consensus flows

UUID 10e2620f-3a2c-4275-8ee1-cba6657995d1

Deprecated yes

Replaced By f9f14006-83f6-449e-a1d0-624d7b23ce17

Flow Object ID fo-dfe2ef5129733b6b

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 5367-28-2

EC Numbers 226-355-3

prefLabel

Language	Value	Provenance
`en`	`3-chloro-6-nitrotoluene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Chloro-3-methyl-4-nitrobenzene`
`en`	`2-Nitro-5-chlorotoluene`
`en`	`3-Methyl-4-nitrochlorobenzene`
`en`	`4-Chloro-2-methyl-1-nitrobenzene`
`en`	`4-Chloro-2-methylnitrobenzene`
`en`	`5-Chloro-2-nitrotoluene`
`en`	`Benzene, 4-chloro-2-methyl-1-nitro-`
`en`	`Toluene, 5-chloro-2-nitro-`

References

Shared Properties

Predicate	Value
InChIKey	`HROYHGLRZADUTR-UHFFFAOYSA-N, IYHHGLULQDOFGC-UHFFFAOYSA-N, KNOZMCIHCIMLDY-UHFFFAOYSA-N, NSMZCUAVEOTJDS-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H22N2O/c1-3-8-12(9-4-2)15-14(17)16-13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,15,16,17), InChI=1S/C7H6ClNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3, InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3, InChI=1S/C7H6ClNO2/c8-7-3-1-6(2-4-7)5-9(10)11/h1-4H,5H2`
IUPAC name	`1-chloranyl-3-methyl-5-nitro-benzene, 1-chloranyl-4-(nitromethyl)benzene, 1-chloro-3-methyl-5-nitro-benzene, 1-chloro-3-methyl-5-nitrobenzene, 1-chloro-4-(nitromethyl)benzene, 1-heptan-4-yl-3-phenyl-urea, 1-heptan-4-yl-3-phenylurea, 1-phenyl-3-(1-propylbutyl)urea, 4-chloranyl-2-methyl-1-nitro-benzene, 4-chloro-2-methyl-1-nitro-benzene, 4-chloro-2-methyl-1-nitrobenzene`
Molecular formula	`C14H22N2O, C7H6ClNO2`
SMILES	`C1=CC(=CC=C1C[N+](=O)[O-])Cl, CC1=C(C=CC(=C1)Cl)[N+](=O)[O-], CC1=CC(=CC(=C1)Cl)[N+](=O)[O-], CCCC(CCC)NC(=O)NC1=CC=CC=C1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`10e2620f-3a2c-4275-8ee1-cba6657995d1`	3-chloro-6-nitrotoluene

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=3-chloro-6-nitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5367-28-2; added Common Chemistry CAS names as altLabel: 1-Chloro-3-methyl-4-nitrobenzene, 2-Nitro-5-chlorotoluene, 3-Methyl-4-nitrochlorobenzene, 4-Chloro-2-methyl-1-nitrobenzene, 4-Chloro-2-methylnitrobenzene, 5-Chloro-2-nitrotoluene, Benzene, 4-chloro-2-methyl-1-nitro-, Toluene, 5-chloro-2-nitro-; object_uuid=fo-dfe2ef5129733b6b
`cas_match_labels`	1	`—`	consensus_match	group_key=3-chloro-6-nitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5367-28-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfe2ef5129733b6b: {'5367-28-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Chloro-3-methyl-4-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Nitro-5-chlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-4-nitrochlorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-2-methyl-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-2-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Chloro-2-nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 4-chloro-2-methyl-1-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 5-chloro-2-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5367-28-2', 'https://commonchemistry.cas.org/detail?cas_rn=5367-28-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-chloro-6-nitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5367-28-2; added Common Chemistry CAS names as altLabel: 1-Chloro-3-methyl-4-nitrobenzene, 2-Nitro-5-chlorotoluene, 3-Methyl-4-nitrochlorobenzene, 4-Chloro-2-methyl-1-nitrobenzene, 4-Chloro-2-methylnitrobenzene, 5-Chloro-2-nitrotoluene, Benzene, 4-chloro-2-methyl-1-nitro-, Toluene, 5-chloro-2-nitro-; object_uuid=fo-dfe2ef5129733b6b
`cas_match_labels`	`None`	`{'5367-28-2': 'exactMatch'}`	group_key=3-chloro-6-nitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5367-28-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfe2ef5129733b6b: {'5367-28-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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