Basic information
- CAS
57392-44-6- Standard SMILES
CCCC(=O)OCC(Cl)(Cl)Cl- InChIKey
WRMIVVLGWCQXNE-UHFFFAOYSA-N- Molecular formula
- C6H9Cl3O2
- Average molar mass
- 219.5 g/mol
- Monoisotopic mass
- 217.96681257
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl butyrate
- IUPAC
- 2,2,2-trichloroethyl butanoate
- English name
- 2,2,2-Trichloroethyl butyrate
- Molecular formula
- C6H9Cl3O2
- Molecular weight
- 219.49
Names & synonyms
2,2,2-Trichloroethyl butyrate57392-44-6DTXSID50335778RefChem:440404DTXCID00286867621-271-72,2,2-Trichloroethyl butanoatetrichloroethyl butyrateSCHEMBL733969SCHEMBL9481223Butanoic acid, 2,2,2-trichloroethyl ester
Database identifiers
- CAS
57392-44-6- PubChem CID
- 527153
- DTXSID
DTXSID50335778- EC Number
- 621-271-7
- Nikkaji
- J472.448H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Density
- 1.281 g/mL · 1.281 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.456
- Flash point
- 95 °C · 95 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
2 records
Compound notes
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