Methyl(triphenyl)phosphonium Bromide

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Methyl(triphenyl)phosphonium Bromide

UUID c2f25443-6b85-45a6-bb92-ab57fe1dcd7b

Flow Object ID fo-b2c2b507b7f291cf

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 1779-49-3

EC Numbers 217-218-9

prefLabel

Language	Value	Provenance
`en`	`Methyl(triphenyl)phosphonium Bromide`

altLabel ⓘ

Language	Value	Provenance
`en`	`M 0779`
`en`	`MTPPB`
`en`	`MePPh3Br`
`en`	`Methyltriphenyliphosphonium bromide`
`en`	`Methyltriphenylphosphanium bromide`
`en`	`Methyltriphenylphosphonium bromide`
`en`	`Phosphonium, methyltriphenyl-, bromide`
`en`	`Phosphonium, methyltriphenyl-, bromide (1:1)`
`en`	`Triphenylmethylphosphonium bromide`
`en`	`Triphenylphosphonium methobromide`
`en`	`Triphenylphosphonium methylbromide`

References

Shared Properties

Predicate	Value
InChIKey	`AUODDLQVRAJAJM-BOMBIWCESA-N, LSEFCHWGJNHZNT-UHFFFAOYSA-M, LSEFCHWGJNHZNT-UHFFFAOYSA-N, PDTUTKXQNSJUKJ-UHFFFAOYSA-N`
InChI	`InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1, InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;, InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1, InChI=1S/C6H11NO4/c1-4-11-6(9)5(8)7(2)10-3/h4H2,1-3H3`
IUPAC name	(2S,4R)-N-[(1S,2R)-2-chloranyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide;hydrochloride, (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide;hydrochloride, (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide;hydrochloride, (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide;hydrochloride, (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride, 2-[methoxy(methyl)amino]-2-oxoacetic acid ethyl ester, 2-keto-2-[methoxy(methyl)amino]acetic acid ethyl ester, ethyl 2-[methoxy(methyl)amino]-2-oxidanylidene-ethanoate, ethyl 2-[methoxy(methyl)amino]-2-oxo-acetate, ethyl 2-[methoxy(methyl)amino]-2-oxoacetate, methyl(triphenyl)phosphanium bromide, methyl(triphenyl)phosphanium;hydrobromide, methyl(triphenyl)phosphonium bromide, methyl(triphenyl)phosphonium;hydrobromide
Molecular formula	`C18H34Cl2N2O5S, C19H18BrP, C19H19BrP+, C6H11NO4`
SMILES	`CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl, CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl.Cl, CCOC(=O)C(=O)N(C)OC, C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br, C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c2f25443-6b85-45a6-bb92-ab57fe1dcd7b`	methyl(triphenyl)phosphonium bromide

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl(triphenyl)phosphonium bromide	Emissions/Emissions to air/Emissions to urban air close to ground	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=methyl(triphenyl)phosphoniumbromide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=1779-49-3; added Common Chemistry CAS names as altLabel: M 0779, MTPPB, MePPh3Br, Methyltriphenyliphosphonium bromide, Methyltriphenylphosphanium bromide, Methyltriphenylphosphonium bromide, Phosphonium, methyltriphenyl-, bromide, Phosphonium, methyltriphenyl-, bromide (1:1), Triphenylmethylphosphonium bromide, Triphenylphosphonium methobromide, Triphenylphosphonium methylbromide; object_uuid=fo-b2c2b507b7f291cf
`cas_match_labels`	1	`—`	consensus_match	group_key=methyl(triphenyl)phosphoniumbromide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1779-49-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2c2b507b7f291cf: {'1779-49-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'M 0779', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MTPPB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MePPh3Br', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltriphenyliphosphonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltriphenylphosphanium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltriphenylphosphonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonium, methyltriphenyl-, bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonium, methyltriphenyl-, bromide (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Triphenylmethylphosphonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Triphenylphosphonium methobromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Triphenylphosphonium methylbromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1779-49-3', 'https://commonchemistry.cas.org/detail?cas_rn=1779-49-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methyl(triphenyl)phosphoniumbromide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=1779-49-3; added Common Chemistry CAS names as altLabel: M 0779, MTPPB, MePPh3Br, Methyltriphenyliphosphonium bromide, Methyltriphenylphosphanium bromide, Methyltriphenylphosphonium bromide, Phosphonium, methyltriphenyl-, bromide, Phosphonium, methyltriphenyl-, bromide (1:1), Triphenylmethylphosphonium bromide, Triphenylphosphonium methobromide, Triphenylphosphonium methylbromide; object_uuid=fo-b2c2b507b7f291cf
`cas_match_labels`	`None`	`{'1779-49-3': 'exactMatch'}`	group_key=methyl(triphenyl)phosphoniumbromide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1779-49-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2c2b507b7f291cf: {'1779-49-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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