4-cyanophenyl Acetate

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UUID f837664e-0d53-4ffa-a786-47fa1a2490ad

Flow Object ID fo-7e3caa40081747d1

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 13031-41-9

EC Numbers 235-893-8

prefLabel

Language	Value	Provenance
`en`	`4-cyanophenyl Acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`4-(Acetyloxy)benzonitrile`
`en`	`4-Acetoxybenzonitrile`
`en`	`<em>p</em>-Acetoxybenzonitrile`
`en`	`<em>p</em>-Cyanophenyl acetate`
`en`	`Benzonitrile, 4-(acetyloxy)-`
`en`	`Benzonitrile, <em>p</em>-hydroxy-, acetate`
`en`	`Benzonitrile, <em>p</em>-hydroxy-, acetate (ester)`

References

Shared Properties

Predicate	Value
InChIKey	`CJGXWABHYYJNJH-UHFFFAOYSA-N, QLFBLPKXJZBFGN-UHFFFAOYSA-N, RKDUGCFRXXRFAQ-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H12N4.HNO3/c8-7(11-9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5,7,10-11H,8-9H2;(H,2,3,4), InChI=1S/C8H7N.CO2/c1-7-2-4-8(6-9)5-3-7;2-1-3/h2-5H,1H3;, InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3`
IUPAC name	`(4-cyanophenyl) acetate, (4-cyanophenyl) ethanoate, 1-diazanyl-N'-phenyl-methanediamine;nitric acid, 1-hydrazino-N'-phenyl-methanediamine;nitric acid, 1-hydrazinyl-N'-phenylmethanediamine;nitric acid, [amino(hydrazino)methyl]-phenyl-amine;nitric acid, acetic acid (4-cyanophenyl) ester, carbon dioxide;4-methylbenzenecarbonitrile, carbon dioxide;4-methylbenzonitrile`
Molecular formula	`C7H13N5O3, C9H7NO2`
SMILES	`C1=CC=C(C=C1)NC(N)NN.[N+](=O)(O)[O-], CC(=O)OC1=CC=C(C=C1)C#N, CC1=CC=C(C=C1)C#N.C(=O)=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f837664e-0d53-4ffa-a786-47fa1a2490ad`	4-cyanophenyl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-cyanophenyl acetate	Emissions/Emissions to water/Emissions to water, unspecified	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=4-cyanophenylacetate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=13031-41-9; added Common Chemistry CAS names as altLabel: 4-(Acetyloxy)benzonitrile, 4-Acetoxybenzonitrile, <em>p</em>-Acetoxybenzonitrile, <em>p</em>-Cyanophenyl acetate, Benzonitrile, 4-(acetyloxy)-, Benzonitrile, <em>p</em>-hydroxy-, acetate, Benzonitrile, <em>p</em>-hydroxy-, acetate (ester); object_uuid=fo-7e3caa40081747d1
`cas_match_labels`	1	`—`	consensus_match	group_key=4-cyanophenylacetate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13031-41-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e3caa40081747d1: {'13031-41-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '4-(Acetyloxy)benzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Acetoxybenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Acetoxybenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Cyanophenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, 4-(acetyloxy)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, <em>p</em>-hydroxy-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, <em>p</em>-hydroxy-, acetate (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13031-41-9', 'https://commonchemistry.cas.org/detail?cas_rn=13031-41-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-cyanophenylacetate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=13031-41-9; added Common Chemistry CAS names as altLabel: 4-(Acetyloxy)benzonitrile, 4-Acetoxybenzonitrile, <em>p</em>-Acetoxybenzonitrile, <em>p</em>-Cyanophenyl acetate, Benzonitrile, 4-(acetyloxy)-, Benzonitrile, <em>p</em>-hydroxy-, acetate, Benzonitrile, <em>p</em>-hydroxy-, acetate (ester); object_uuid=fo-7e3caa40081747d1
`cas_match_labels`	`None`	`{'13031-41-9': 'exactMatch'}`	group_key=4-cyanophenylacetate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13031-41-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e3caa40081747d1: {'13031-41-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-7e3caa40081747d1"
}