4-Nitrobenzyl chloroformate

C8H6ClNO4CAS 4457-32-3215.59 g/mol

Open in Covalent MOL file
OClON+OO−
Acyl halideNitro

Properties

Molecular formula
C8H6ClNO4
Molar mass
215.59 g/mol
Exact mass
214.9985 Da
Melting point
33.5–34 °C
logP
2.47Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
4457-32-3
SMILES
O=C(Cl)OCc1ccc([N+](=O)[O-])cc1
InChIKey
MHSGOABISYIYKP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Carbonochloridic acid, (4-nitrophenyl)methyl ester
  • Formic acid, chloro-, p-nitrobenzyl ester
  • p-Nitrobenzyl chloroformate
  • p-Nitrocarbobenzoxy chloride
  • p-Nitrobenzyloxycarbonyl chloride
  • 4-Nitrobenzyloxycarbonyl chloride
  • (4-Nitrophenyl)methyl chloroformate
  • (4-Nitrophenyl)methyl carbonochloridate

Work with 4-Nitrobenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Nitrobenzylacetate619-90-964 % similar 4-Nitrophenyl chloroformate7693-46-161 % similar (4-Nitrophenyl)methyl 3-oxobutanoate61312-84-357 % similar Mono-4-nitrobenzyl Malonate77359-11-657 % similar Benzyl chloroformate501-53-156 % similar (T-4)-Bis(mono((4-nitrophenyl)methyl) propanedioato-kappaO3,kappaO'1)magnesium83972-01-454 % similar Benzyl 4-nitrophenyl carbonate13795-24-953 % similar 4-Nitrobenzyl 2-diazoacetoacetate82551-63-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-chloro-4-nitrobenzoate13324-11-3 Methyl 4-chloro-3-nitrobenzoate14719-83-6 4-Chloro-3-nitrophenylacetic acid37777-68-7 2-Nitro-4-chlorobenzoic acid methyl ester42087-80-9 Methyl 5-chloro-2-nitrobenzoate51282-49-6 Methyl 2-chloro-5-nitrobenzoate6307-82-0 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook