Phenyl isothiocyanate

C7H5NSCAS 103-72-0135.18 g/mol

SN
Isothiocyanate

Properties

Molecular formula
C7H5NS
Molar mass
135.18 g/mol
Exact mass
135.0143 Da
Density
1.13 g/mL
Melting point
−21 °C
Boiling point
221 °C
logP
2.42Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 214 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P405, P501

Identifiers

CAS number
103-72-0
SMILES
S=C=Nc1ccccc1
InChIKey
QKFJKGMPGYROCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

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

Names and synonyms

8 names
  • Benzene, isothiocyanato-
  • Isothiocyanic acid, phenyl ester
  • Isothiocyanatobenzene
  • Phenyl mustard oil
  • Thiocarbanil
  • Phenyl thioisocyanate
  • Benzene isothiocyanate
  • NSC 5583

Reactions

Work with Phenyl isothiocyanate

Similar compounds

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

Same formula

Elsewhere