Basic information
- CAS
42572-11-2- Standard SMILES
CCC(C)c1ccccc1OC(=O)Cl- InChIKey
HHRQQKZGRTXSHV-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.06040734
Names & identifiers
- Preferred name
- o-sec-Butylphenyl chloroformate
- IUPAC
- (2-butan-2-ylphenyl) carbonochloridate
- English name
- o-sec-butylphenyl chloroformate
- Molecular formula
- C11H13ClO2
- Molecular weight
- 212.67
Names & synonyms
o-sec-Butylphenyl chloroformate42572-11-2EINECS 255-891-02-(Butan-2-yl)phenyl carbonochloridateSCHEMBL5837459DTXSID50962568AKOS017547776chloroformic acid-o-sec.-butyl-phenyl-esterNS000595572-sec-Butylphenyl chloroformateChloroformic acid 2-sec-butylphenyl esterCarbonochloridic acid, 2-(1-methylpropyl)phenyl ester
Database identifiers
- CAS
42572-11-2- PubChem CID
- 3016372
- DTXSID
DTXSID50962568- EC Number
- 255-891-0
- Nikkaji
- J59.949B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 258.3 · 258.3±19.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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