Basic information
- CAS
10488-68-3- Standard SMILES
COC(=O)CC(O)CCl- InChIKey
WMRINGSAVOPXTE-UHFFFAOYSA-N- Molecular formula
- C5H9ClO3
- Average molar mass
- 152.57 g/mol
- Monoisotopic mass
- 152.0240218
Names & identifiers
- Preferred name
- Methyl 4-chloro-3-hydroxybutanoate
- IUPAC
- methyl 4-chloro-3-hydroxybutanoate
- English name
- 4-Chloro-3-hydroxy-butyricacidmethylester
- Molecular formula
- C5H9ClO3
- Molecular weight
- 152.58
Names & synonyms
methyl 4-chloro-3-hydroxybutanoate10488-68-3DTXSID30394469RefChem:355662DTXCID203453294-Chloro-3-hydroxy-butyricacidmethylesterMFCD097440094-chloro-3-hydroxybutanoic acid methyl estermethyl 4-chloro-3-hydroxybutyrate4-Chloro-3-hydroxy-butyric acid methyl esterMethyl 4-chloro-3-hydroxy-butanoateMethyl chloro-3-hydroxybutyrate
Show more names
Methyl gamma-chloro-beta-hydroxybutyrate4-Chloro-3-hydroxy-butycir acid methyl esterButanoic acid,4-chloro-3-hydroxy-, methyl ester
SCHEMBL16910094-chloro-3-hydroxy-butyric acidmethyl4-chloro-3-hydroxybutanoateWMRINGSAVOPXTE-UHFFFAOYSA-NAKOS015909148AC-5621SB44433SB44824
Database identifiers
- CAS
10488-68-3- PubChem CID
- 3629997
- DTXSID
DTXSID30394469- Nikkaji
- J434.185F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94
Physicochemical properties
- Boiling point
- 249 ℃ · 249℃
- Density
- 1.232 · 1.232
- refractive index
- 1.458 · 1.458
- Flash point
- 104 ℃ · 104℃
- pka
- 12.73 · 12.73±0.20(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
Upstream & downstream products
Downstream products
Suppliers32 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州沃研化工有限公司0510-83782303 13771177691 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北恒化科技有限公司18064208139 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Related reactions
6 records
Compound notes
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