Decyl 2-chloroacetate
Basic information
- CAS
6974-05-6- Standard SMILES
CCCCCCCCCCOC(=O)CCl- InChIKey
WLAYVQKPZABXSY-UHFFFAOYSA-N- Molecular formula
- C12H23ClO2
- Average molar mass
- 234.76 g/mol
- Monoisotopic mass
- 234.1386577
Names & identifiers
- Preferred name
- Decyl 2-chloroacetate
- IUPAC
- decyl 2-chloroacetate
- English name
- NISTC6974056
- Molecular formula
- C12H23ClO2
- Molecular weight
- 234.76
Names & synonyms
decyl 2-chloroacetate6974-05-6DTXSID70281788RefChem:336762DTXCID20232942Acetic acid, chloro-, decyl esterDecyl chloroacetateAcetic acid, chloro-, n-decyl esterNSC23052decyl2-chloroacetateDecyl chloroacetate #C12H23ClO2
Show more names
NISTC6974056Acetic acid, 2-chloro-, decyl ester
Chloroacetic acid, decyl esterSCHEMBL6641787SCHEMBL6641791SCHEMBL9717821WLAYVQKPZABXSY-UHFFFAOYSA-NNSC-23052SBB060034AKOS009031529
Database identifiers
- CAS
6974-05-6- PubChem CID
- 229381
- DTXSID
DTXSID70281788- EC Number
- 105-381-8
- Nikkaji
- J687.978K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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