3-bromopropene

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UUID 2904a981-5373-49ae-b2fb-d76630b6b562

Flow Object ID fo-5ca193297ee016d8

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 106-95-6

EC Numbers 203-446-6

prefLabel

Language	Value	Provenance
`en`	`3-bromopropene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Bromo-2-propene`
`en`	`1-Propene, 3-bromo-`
`en`	`13125C`
`en`	`2-Propenyl bromide`
`en`	`3-Bromo-1-propene`
`en`	`3-Bromoprop-1-ene`
`en`	`3-Bromopropylene`
`en`	`Allyl bromide`
`en`	`B 0643`
`en`	`NSC 7596`
`en`	`Propene, 3-bromo-`

References

Shared Properties

Predicate	Value
InChIKey	`AYUNIORJHRXIBJ-TXHRRWQRSA-N, BHELZAPQIKSEDF-UHFFFAOYSA-N, HUUIPCYDXQTXMP-UHFFFAOYSA-N, NNQDMQVWOWCVEM-UHFFFAOYSA-N, PIXHJAPVPCVZSV-UHFFFAOYSA-N`
InChI	InChI=1S/2C3H5Br/c21-2-3-4/h22H,1,3H2, InChI=1S/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25), InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1, InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3, InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
IUPAC name	1-bromanylprop-1-ene, 1-bromo-1-propene, 1-bromoprop-1-ene, 3-bromanylprop-1-ene, 3-bromo-1-propene, 3-bromoprop-1-ene, N-[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]benzamide, N-[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]benzamide, N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide, N-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide, N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide, [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate, [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate, [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-8,14-dimethoxy-4,10,12,16-tetramethyl-13-oxidanyl-3,20,22-tris(oxidanylidene)-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate, carbamic acid [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester, carbamic acid [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-3,20,22-triketo-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester
Molecular formula	`C17H17N5O4, C31H43N3O8, C3H5Br, C6H10Br2`
SMILES	`C1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O, C=CCBr, C=CCBr.C=CCBr, CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC, CC=CBr, C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`2904a981-5373-49ae-b2fb-d76630b6b562`	3-bromopropene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-bromopropene	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-bromopropene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=106-95-6; added Common Chemistry CAS names as altLabel: 1-Bromo-2-propene, 1-Propene, 3-bromo-, 13125C, 2-Propenyl bromide, 3-Bromo-1-propene, 3-Bromoprop-1-ene, 3-Bromopropylene, Allyl bromide, B 0643, NSC 7596, Propene, 3-bromo-; object_uuid=fo-5ca193297ee016d8
`cas_match_labels`	1	`—`	consensus_match	group_key=3-bromopropene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'106-95-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ca193297ee016d8: {'106-95-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Bromo-2-propene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Propene, 3-bromo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '13125C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propenyl bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromo-1-propene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromoprop-1-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromopropylene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allyl bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'B 0643', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7596', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propene, 3-bromo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-95-6', 'https://commonchemistry.cas.org/detail?cas_rn=106-95-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-bromopropene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=106-95-6; added Common Chemistry CAS names as altLabel: 1-Bromo-2-propene, 1-Propene, 3-bromo-, 13125C, 2-Propenyl bromide, 3-Bromo-1-propene, 3-Bromoprop-1-ene, 3-Bromopropylene, Allyl bromide, B 0643, NSC 7596, Propene, 3-bromo-; object_uuid=fo-5ca193297ee016d8
`cas_match_labels`	`None`	`{'106-95-6': 'exactMatch'}`	group_key=3-bromopropene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'106-95-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ca193297ee016d8: {'106-95-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "unit": "kg",
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  "source": "EF 3.1",
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        "[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate",
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