ChemicalBook--->CAS DataBase List--->64891-77-6

64891-77-6

64891-77-6 Structure

64891-77-6 Structure
IdentificationBack Directory
[Name]

BROMOACETIC-2-13C ACID
[CAS]

64891-77-6
[Synonyms]

BROMOACETIC-2-13C ACID
bromoacetic-2-C13-acid
[2-13C]-Bromoacetic Acid
BROMOACETIC ACID (2-13C)
Bromoacetic-2-13C Acid Internal Standard, (1000mg/I in MtBE)
[Molecular Formula]

C2H3BrO2
[MDL Number]

MFCD00002681
[MOL File]

64891-77-6.mol
[Molecular Weight]

139.96
Chemical PropertiesBack Directory
[Melting point ]

47-49 °C (lit.)
[Boiling point ]

208 °C (lit.)
[Fp ]

>230 °F
[form ]

powder
[InChI]

1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1
[InChIKey]

KDPAWGWELVVRCH-OUBTZVSYSA-N
[SMILES]

OC(=O)[13CH2]Br
[CAS Number Unlabeled]

79-08-3
Safety DataBack Directory
[Hazard Codes ]

T,C,N
[Risk Statements ]

23/24/25-35-50-43
[Safety Statements ]

26-36/37/39-45-61
[RIDADR ]

UN 3425 8/PG 2
[WGK Germany ]

2
[HazardClass ]

8
[PackingGroup ]

II
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Oral
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Aquatic Acute 1
Eye Dam. 1
Skin Corr. 1A
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

Bromoacetic-2-13C Acid is the isotope labelled analog of Bromoacetic Acid (B679075); a relatively strong alkylating agent as well as a versatile building block used very commonly in organic synthesis. Bromoacetic acid has been shown to reversibly inhibit human erythrocyte carbonic anhydrase B.64891-77-6
Spectrum DetailBack Directory
[Spectrum Detail]

BROMOACETIC-2-13C ACID(64891-77-6)1HNMR
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