Phenyl chloroformate
Properties
- Molecular formula
- C7H5ClO2
- Molar mass
- 156.56 g/mol
- Exact mass
- 155.9978 Da
- Density
- 1.244 g/mL (at 25 °C)
- Melting point
- 38–38.5 °C
- Boiling point
- 185 °C
- Flash point
- 69 °C (closed cup)
- logP
- 2.42Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals60.1% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage93.1% of notifiers
- H317 May cause an allergic skin reaction10.6% of notifiers
- H318 Causes serious eye damage31.9% of notifiers
- H330 Fatal if inhaled96.8% of notifiers
- H335 May cause respiratory irritation67% of notifiers
- H412 Harmful to aquatic life with long lasting effects23.4% of notifiers
Aggregated from 188 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
1885-14-9SMILES
O=C(Cl)Oc1ccccc1InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Carbonochloridic acid, phenyl ester
- Formic acid, chloro-, phenyl ester
- Chloroformic acid phenyl ester
- Phenyl chlorocarbonate
- Phenyl carbonochloridate
- Phenyloxycarbonyl chloride
- Phenylchloroformic acid
- NSC 210946
- Chlorocarbonic acid phenyl ester
Work with Phenyl chloroformate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Chlorophenyl chloroformate7693-45-063 % similar
4-Fluorophenyl chloroformate38377-38-761 % similar
4-Methoxyphenyl carbonochloridate7693-41-661 % similar
p-Bromophenyl chloroformate7693-44-961 % similar
Diphenyl carbonate102-09-056 % similar
4-Nitrophenyl chloroformate7693-46-152 % similar
Phenyl chlorothionoformate1005-56-750 % similar
Phenyl acetate122-79-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Chlorobenzoic acid118-91-2
2-Chloro-6-hydroxybenzaldehyde18362-30-6
3-Chloro-2-hydroxy-benzaldehyde1927-94-2
2-Chloro-5-methyl-1,4-benzoquinone19832-87-2
3-Chloro-4-hydroxybenzaldehyde2420-16-8
4-Chloro-2-hydroxybenzaldehyde2420-26-0
3-Chlorobenzoic acid535-80-8
2-Chloro-4-hydroxybenzaldehyde56962-11-9