chempirical

3,4-Dichlorophenyl isocyanate

C7H3Cl2NOCAS 102-36-3188.01 g/mol

Open in Covalent MOL file
ONClCl
Aryl halideIsocyanate

Properties

Molecular formula
C7H3Cl2NO
Molar mass
188.01 g/mol
Exact mass
186.9592 Da
Melting point
43 °C
Boiling point
113 °C
logP
2.96Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
102-36-3
SMILES
O=C=Nc1ccc(Cl)c(Cl)c1
InChIKey
MFUVCHZWGSJKEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,2-dichloro-4-isocyanato-
  • Isocyanic acid, 3,4-dichlorophenyl ester
  • 1,2-Dichloro-4-isocyanatobenzene
  • NSC 76605
  • 3,4-Dichloroisocyanatobenzene
  • 3,4-Dichlorobenzene isocyanate

Work with 3,4-Dichlorophenyl isocyanate

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

3-Chloro-4-methylphenyl isocyanate28479-22-367 % similar 1,2-Dichloro-4-isothiocyanatobenzene6590-94-962 % similar 4-Chloro-3-(trifluoromethyl)phenyl isocyanate327-78-661 % similar P-Phenylene diisocyanate104-49-458 % similar 1,3-Diisocyanatobenzene123-61-558 % similar 1-Chloro-4-isocyanato-2-nitrobenzene40397-96-457 % similar 4-Chlorophenyl isocyanate104-12-154 % similar 3-Chlorophenyl isocyanate2909-38-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Chloroxynil1891-95-8 2,4-Dichlorophenyl isocyanate2612-57-9 3,5-Dichlorophenyl isocyanate34893-92-0 2,6-Dichlorobenzoxazole3621-82-7 2,6-Dichlorophenyl isocyanate39920-37-1 2,3-Dichlorophenyl isocyanate41195-90-8 2,5-Dichlorophenyl isocyanate5392-82-5

Elsewhere

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