Basic information
- CAS
7425-45-8- Standard SMILES
CCOC(=O)C(Cl)CC- InChIKey
QTEITWPJVHAOTN-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- Ethyl 2-chlorobutanoate
- IUPAC
- ethyl 2-chlorobutanoate
- English name
- Ethyl-2-chloro-n-butanoate
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
Ethyl 2-chlorobutanoate7425-45-82-chloro-butyric acid ethyl esterEthyl 2-chlorobutyrateButanoic acid, 2-chloro-, ethyl esteralpha-Chlorobutyric acid ethyl esterSCHEMBL5613333SCHEMBL7668904DTXSID40995764AKOS011508505Ethyl-2-chloro-n-butanoate2-Chlorobutyric acid，ethyl ester
Database identifiers
- CAS
7425-45-8- PubChem CID
- 123252
- DTXSID
DTXSID40995764- EC Number
- 659-844-9
- Nikkaji
- J567.247C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93
Experimental & physicochemical properties
Kovats Retention Index
1004；945；1010；1023；976；990；990
1493；1467；1473；1510；1510
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- Boiling point
- 207.14 °C · 207.14°C (rough estimate)
- Density
- 1.056 · 1.0560
- refractive index
- 1.418 · 1.4180 (estimate)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers4 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Related reactions
1 records
Compound notes
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