Basic information
- CAS
19376-57-9- Standard SMILES
COC(=O)CCC(Cl)(Cl)Cl- InChIKey
OTEHQWOCCPLELJ-UHFFFAOYSA-N- Molecular formula
- C5H7Cl3O2
- Average molar mass
- 205.46 g/mol
- Monoisotopic mass
- 203.951163
Names & identifiers
- Preferred name
- Methyl 4,4,4-trichlorobutanoate
- IUPAC
- methyl 4,4,4-trichlorobutanoate
- English name
- 4,4,4-Trichlorobutyric acid methyl ester
- Molecular formula
- C5H7Cl3O2
- Molecular weight
- 205.47
Names & synonyms
methyl 4,4,4-trichlorobutanoate19376-57-94,4,4-Trichlorobutyric acid methyl esterMFCD28144036Butanoic acid, 4,4,4-trichloro-, methyl esterNSC299171methyl4,4,4-trichlorobutanoateSCHEMBL10496026DTXSID60316073OTEHQWOCCPLELJ-UHFFFAOYSA-NAC2431AKOS027420428
Show more names
NSC-299171DA-43382DS-18840SY028292CS-0187499F519497
Database identifiers
- CAS
19376-57-9- PubChem CID
- 326850
- DTXSID
DTXSID60316073- Nikkaji
- J833.148K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 212 ℃ · 212℃
- Density
- 1.381 · 1.381
- refractive index
- 1.4648 · 1.4648
- Flash point
- 83 ℃ · 83℃
- storage temp.
- 2 · 2-8°C
- HS Code
- 2915907098 · 2915907098
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
- hs_code
- 2915907098
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海拓莱化学科技有限公司021-31137757-00; 18121466954;18121466954 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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