Basic information
- CAS
1190006-20-2- Standard SMILES
O=[13C](CBr)CBr- InChIKey
LQQKDSXCDXHLLF-LBPDFUHNSA-N- Molecular formula
- C3H4Br2O
- Average molar mass
- 216.86 g/mol
- Monoisotopic mass
- 214.86624
Names & identifiers
- Preferred name
- 1,3-Dibromoacetone-2-13C
- IUPAC
- 1,3-dibromo(213C)propan-2-one
- English name
- 1,3-DIBROMOACETONE-2-13C
- Molecular formula
- C3H4Br2O
- Molecular weight
- 216.86
Names & synonyms
1,3-Dibromoacetone-2-13C1190006-20-21,3-dibromo(213C)propan-2-oneDTXSID30661906AKOS0302432171,3-Dibromo(2-~13~C)propan-2-oneDB-322619NSC 249810-13C1,3-DibroMo-2-propanone-13CBis(broMoMethyl) Ketone-13C
Database identifiers
- CAS
1190006-20-2- PubChem CID
- 45038955
- DTXSID
DTXSID30661906
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Physicochemical properties
- Density
- 2.126 · 2.126±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Acetone, Chloroform, Dichloromethane, Methanol
- form
- Oil
- color
- Light Brown
- CAS DataBase Reference
- 1190006 · 1190006-20-2
Chemistry & industry
Applications
Uses1,3-Dibromoacetone-2-13C (cas# 1190006-20-2) is a compound useful in organic synthesis.
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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