| Identification | Back Directory | [Name]
(CARBETHOXYMETHYL-1,2-13C2)TRIPHENYLPHOSPHONIUM BROMIDE | [CAS]
109376-35-4 | [Synonyms]
(CARBETHOXYMETHYL-1 2-13C2)TRIPHENYL- &
(carbethoxymethyl-1,2-13C2)triphenyl-phosphonium
(CARBETHOXYMETHYL-1,2-13C2)TRIPHENYLPHOSPHONIUM BROMIDE
[13C2]-Ethoxycarbonylmethyltriphenyl phosphonium Bromide
(CARBETHOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE, [1,2-13C2] | [Molecular Formula]
C22H22BrO2P | [MDL Number]
MFCD00191897 | [MOL File]
109376-35-4.mol | [Molecular Weight]
431.3 |
| Chemical Properties | Back Directory | [Melting point ]
152-154 °C(lit.) | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [color ]
White | [InChI]
1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1/i18+1,22+1; | [InChIKey]
VJVZPTPOYCJFNI-WWPGYFPTSA-M | [SMILES]
[Br-].CCO[13C](=O)[13CH2][P+](c1ccccc1)(c2ccccc2)c3ccccc3 |
| Hazard Information | Back Directory | [Uses]
(Ethoxycarbonylmethyl)triphenylphosphonium-13C2 bromide is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system. | [reaction suitability]
reaction type: C-C Bond Formation
reaction type: Whiting Reaction |
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| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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