1-ethyl-4-nitrobenzene

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UUID 94d499c3-140c-47ab-9092-bf04fe90f471

Deprecated yes

Replaced By 593fc3fa-d027-417e-bc1f-5a6e01e0da61

Flow Object ID fo-3157eb97504a5e30

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 100-12-9

EC Numbers 202-821-1

prefLabel

Language	Value	Provenance
`en`	`1-ethyl-4-nitrobenzene`

altLabel ⓘ

Language	Value	Provenance
`en`	`4-Ethyl-1-nitrobenzene`
`en`	`4-Ethylnitrobenzene`
`en`	`4-Nitro-1-ethylbenzene`
`en`	`<em>p</em>-Ethylnitrobenzene`
`en`	`<em>p</em>-Nitroethylbenzene`
`en`	`<em>p</em>-Nitrophenylethane`
`en`	`Benzene, 1-ethyl-4-nitro-`
`en`	`NSC 858`

References

Shared Properties

Predicate	Value
InChIKey	`HMVAVIKQXATKEL-UHFFFAOYSA-N, PHWSCBWNPZDYRI-UHFFFAOYSA-N, PMNIHDBMMDOUPD-UHFFFAOYSA-N, RESTWAHJFMZUIZ-UHFFFAOYSA-N, XAWCLWKTUKMCMO-UHFFFAOYSA-N, XGWWZKBCQLBJNH-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H15NO4S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-18(16,17)8-6-13/h1-4H,5-9H2,(H,14,15), InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7), InChI=1S/C6H13N3O3/c7-9-8-1-3-11-5-6-12-4-2-10/h10H,1-6H2, InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3, InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2, InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3`
IUPAC name	`1-ethyl-4-nitro-benzene, 1-ethyl-4-nitrobenzene, 2-[2-(2-azidoethoxy)ethoxy]ethanol, 2-nitroethylbenzene, 3-(methylthio)-1H-1,2,4-triazol-5-amine, 3-methylsulfanyl-1H-1,2,4-triazol-5-amine, 4-[(1,1-diketo-1,4-thiazinan-4-yl)methyl]benzoic acid, 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid, 4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methyl]benzoic acid, 4-nitrobenzoic acid ethyl ester, [3-(methylthio)-1H-1,2,4-triazol-5-yl]amine, ethyl 4-nitrobenzoate`
Molecular formula	`C12H15NO4S, C3H6N4S, C6H13N3O3, C8H9NO2, C9H9NO4`
SMILES	`C(COCCOCCO)N=[N+]=[N-], C1=CC=C(C=C1)CC[N+](=O)[O-], C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)C(=O)O, CCC1=CC=C(C=C1)[N+](=O)[O-], CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-], CSC1=NNC(=N1)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`94d499c3-140c-47ab-9092-bf04fe90f471`	1-ethyl-4-nitrobenzene

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=1-ethyl-4-nitrobenzene\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=100-12-9; added Common Chemistry CAS names as altLabel: 4-Ethyl-1-nitrobenzene, 4-Ethylnitrobenzene, 4-Nitro-1-ethylbenzene, <em>p</em>-Ethylnitrobenzene, <em>p</em>-Nitroethylbenzene, <em>p</em>-Nitrophenylethane, Benzene, 1-ethyl-4-nitro-, NSC 858; object_uuid=fo-3157eb97504a5e30
`cas_match_labels`	1	`—`	consensus_match	group_key=1-ethyl-4-nitrobenzene\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'100-12-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3157eb97504a5e30: {'100-12-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '4-Ethyl-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Ethylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Nitro-1-ethylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Ethylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Nitroethylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Nitrophenylethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-ethyl-4-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 858', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-12-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-12-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1-ethyl-4-nitrobenzene\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=100-12-9; added Common Chemistry CAS names as altLabel: 4-Ethyl-1-nitrobenzene, 4-Ethylnitrobenzene, 4-Nitro-1-ethylbenzene, <em>p</em>-Ethylnitrobenzene, <em>p</em>-Nitroethylbenzene, <em>p</em>-Nitrophenylethane, Benzene, 1-ethyl-4-nitro-, NSC 858; object_uuid=fo-3157eb97504a5e30
`cas_match_labels`	`None`	`{'100-12-9': 'exactMatch'}`	group_key=1-ethyl-4-nitrobenzene\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'100-12-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3157eb97504a5e30: {'100-12-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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