3-(1-cyanoethyl)benzoyl Chloride

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3-(1-cyanoethyl)benzoyl Chloride

UUID df63b00d-5e9e-4a2d-ba2a-b04628e73dd7

Deprecated yes

Replaced By 8f561b61-4f8b-4c87-84cb-4ee808a28fdf

Flow Object ID fo-c964a969a74a2072

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 42872-29-7

EC Numbers 255-980-4

prefLabel

Language	Value	Provenance
`en`	`3-(1-cyanoethyl)benzoyl Chloride`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-[3-(Chloroformyl)phenyl]propionitrile`
`en`	`<em>m</em>-(1-Cyanoethyl)benzoyl chloride`
`en`	`Benzoyl chloride, 3-(1-cyanoethyl)-`

References

Shared Properties

Predicate	Value
InChIKey	`XXQNFMGCPMJJSJ-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H8ClNO/c1-7(6-12)8-3-2-4-9(5-8)10(11)13/h2-5,7H,1H3`
IUPAC name	`3-(1-cyanoethyl)benzoyl chloride`
Molecular formula	`C10H8ClNO`
SMILES	`CC(C#N)C1=CC(=CC=C1)C(=O)Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`df63b00d-5e9e-4a2d-ba2a-b04628e73dd7`	3-(1-cyanoethyl)benzoyl chloride

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-(1-cyanoethyl)benzoylchloride\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=42872-29-7; added Common Chemistry CAS names as altLabel: 2-[3-(Chloroformyl)phenyl]propionitrile, <em>m</em>-(1-Cyanoethyl)benzoyl chloride, Benzoyl chloride, 3-(1-cyanoethyl)-; object_uuid=fo-c964a969a74a2072
`cas_match_labels`	1	`—`	consensus_match	group_key=3-(1-cyanoethyl)benzoylchloride\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42872-29-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c964a969a74a2072: {'42872-29-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-[3-(Chloroformyl)phenyl]propionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42872-29-7', 'https://commonchemistry.cas.org/detail?cas_rn=42872-29-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-(1-Cyanoethyl)benzoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42872-29-7', 'https://commonchemistry.cas.org/detail?cas_rn=42872-29-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoyl chloride, 3-(1-cyanoethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42872-29-7', 'https://commonchemistry.cas.org/detail?cas_rn=42872-29-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-(1-cyanoethyl)benzoylchloride\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=42872-29-7; added Common Chemistry CAS names as altLabel: 2-[3-(Chloroformyl)phenyl]propionitrile, <em>m</em>-(1-Cyanoethyl)benzoyl chloride, Benzoyl chloride, 3-(1-cyanoethyl)-; object_uuid=fo-c964a969a74a2072
`cas_match_labels`	`None`	`{'42872-29-7': 'exactMatch'}`	group_key=3-(1-cyanoethyl)benzoylchloride\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42872-29-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c964a969a74a2072: {'42872-29-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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