Basic information
- CAS
57858-24-9- Standard SMILES
O=[13C](O)CBr- InChIKey
KDPAWGWELVVRCH-VQEHIDDOSA-N- Molecular formula
- C2H3BrO2
- Average molar mass
- 139.94 g/mol
- Monoisotopic mass
- 138.935
Overview
See also: 2-bromoacetic-(1-13C) acid (annotation moved to).
Names & identifiers
- Preferred name
- Bromoacetic acid-1-13C
- IUPAC
- 2-bromoacetic acid
- English name
- Bromoacetic-1-13C acid
- Molecular formula
- C2H3BrO2
- Molecular weight
- 139.96
Names & synonyms
bromoacetic-1-13c acid57858-24-9Bromoacetic acid-1-13CBromoacetic-1-(1)(3)C AcidDTXSID00443312Bromo(1-~13~C)acetic acidSCHEMBL1332132Bromoacetic acid-1-13C, 99 atom % 13CH54976bromoacetic-1-C13-acidBROMOACETIC ACID (1-13C)Monobromoacetic Acid-1-13C Solution, 1000 mg/L
Database identifiers
- CAS
57858-24-9- PubChem CID
- 10678317
- DTXSID
DTXSID00443312- Nikkaji
- J2.794.547C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Physicochemical properties
- Melting point
- 47 · 47-49 °C(lit.)
- Boiling point
- 208 °C · 208 °C(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- Colourless to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i2+1
- InChIKey
- KDPAWGWELVVRCH-VQEHIDDOSA-N
- SMILES
- O[13C](=O)CBr
- UNSPSC Code
- 12352202 · 12352202
- CAS Number Unlabeled
- 79 · 79-08-3
- Symbol(GHS)
- 5 · GHS05, GHS06, GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H314-H317-H400
- Precautionary statements
- 261 · P261-P273-P280-P301+P310-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- ridadr
- UN 3425 8/PG 2
- risk_code
- 23/24/25-35-50-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05, GHS06, GHS09
- hazard_code
- T,C,N
- safety_code
- 26-36/37/39-45-61
- hazard_class
- 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301+H311+H331-H314-H317-H400
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1
- Precautionary statements
- P261-P273-P280-P301+P310-P305+P351+P338-P310
Chemistry & industry
Applications
UsesBroMoacetic-1-13C Acid is 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.
Suppliers13 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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