3-bromobornan-2-one

← Back to consensus flows

UUID a986578a-6ab9-4442-a99c-541ab6e39542

Flow Object ID fo-e9f96db35a3958fc

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 76-29-9

EC Numbers 200-950-8

prefLabel

Language	Value	Provenance
`en`	`3-bromobornan-2-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Bornanone, 3-bromo-`
`en`	`3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one`
`en`	`3-Bromocamphor`
`en`	`Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-`
`en`	`Camphor bromide`
`en`	`Camphor, 3-bromo-`
`en`	`NSC 26355`

References

Shared Properties

Predicate	Value
InChIKey	`NJQADTYRAYFBJN-FWWHASMVSA-N, NJQADTYRAYFBJN-NYNCVSEMSA-N, NJQADTYRAYFBJN-PYZQLQBXSA-N, NJQADTYRAYFBJN-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3, InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m0/s1, InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1, InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7?,10+/m1/s1`
IUPAC name	(1R,3S,4S)-3-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one, (1R,3S,4S)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone, (1R,3S,4S)-3-bromo-1,7,7-trimethyl-norbornan-2-one, (1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, (1R,4S)-3-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one, (1R,4S)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone, (1R,4S)-3-bromo-1,7,7-trimethyl-norbornan-2-one, (1R,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, (1S,3R,4R)-3-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one, (1S,3R,4R)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone, (1S,3R,4R)-3-bromo-1,7,7-trimethyl-norbornan-2-one, (1S,3R,4R)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 3-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone, 3-bromo-1,7,7-trimethyl-norbornan-2-one, 3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Molecular formula	`C10H15BrO`
SMILES	`CC1(C2CCC1(C(=O)C2Br)C)C, C[C@@]12CC[C@@H](C1(C)C)C(C2=O)Br, C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br, C[C@]12CC[C@H](C1(C)C)[C@H](C2=O)Br`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a986578a-6ab9-4442-a99c-541ab6e39542`	3-bromobornan-2-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-bromobornan-2-one	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=3-bromobornan-2-one\|\|dimension=Environmental > media=Air > strata=Unknown; cas=76-29-9; added Common Chemistry CAS names as altLabel: 2-Bornanone, 3-bromo-, 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 3-Bromocamphor, Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, Camphor bromide, Camphor, 3-bromo-, NSC 26355; object_uuid=fo-e9f96db35a3958fc
`cas_match_labels`	1	`—`	consensus_match	group_key=3-bromobornan-2-one\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'76-29-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e9f96db35a3958fc: {'76-29-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Bornanone, 3-bromo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromocamphor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Camphor bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Camphor, 3-bromo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 26355', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-29-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-29-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-bromobornan-2-one\|\|dimension=Environmental > media=Air > strata=Unknown; cas=76-29-9; added Common Chemistry CAS names as altLabel: 2-Bornanone, 3-bromo-, 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 3-Bromocamphor, Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, Camphor bromide, Camphor, 3-bromo-, NSC 26355; object_uuid=fo-e9f96db35a3958fc
`cas_match_labels`	`None`	`{'76-29-9': 'exactMatch'}`	group_key=3-bromobornan-2-one\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'76-29-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e9f96db35a3958fc: {'76-29-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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