Basic information
- CAS
16674-04-7- Standard SMILES
CC(CCl)C(=O)O- InChIKey
AWSSTZZQBPIWKZ-UHFFFAOYSA-N- Molecular formula
- C4H7ClO2
- Average molar mass
- 122.55 g/mol
- Monoisotopic mass
- 122.01345714
Names & identifiers
- Preferred name
- 3-Chloro-2-methylpropionic acid
- IUPAC
- 3-chloro-2-methylpropanoic acid
- English name
- 3-chloro-2-methylpropionic acid
- Molecular formula
- C4H7ClO2
- Molecular weight
- 122.55
Names & synonyms
16674-04-73-Chloro-2-methylpropionic acid3-CmpaPropanoic acid, 3-chloro-2-methyl-RefChem:934083-chloro-2-methylpropanoic acid3-chloro-2-methyl-propionic acidAI3-246243-chloro-2-methylpropanoicacidSCHEMBL1132285SCHEMBL6971035DTXSID30937234
Show more names
MFCD06208293AKOS006240489AS-93291DA-09505H42260
Database identifiers
- CAS
16674-04-7- PubChem CID
- 161186
- DTXSID
DTXSID30937234
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 153.15 °C · 153.15°C (rough estimate)
- Density
- 1.2046 · 1.2046
- refractive index
- 1.431 · 1.4310
- storage temp.
- 2 · 2-8°C
- pka
- 4.09 · 4.09±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
1 records
Compound notes
Loading…