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4-Chlorobenzyl Isothiocyanate
[CAS# 3694-45-9]

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Identification
Name 4-Chlorobenzyl Isothiocyanate
Synonyms 4-12-00-02373 (Beilstein Handbook Reference); Benzene, 1-Chloro-4-(Isothiocyanatomethyl)-; Isothiocyanic Acid, P-Chlorobenzyl Ester
Molecular Structure CAS#: 3694-45-9, 4-Chlorobenzyl Isothiocyanate
Molecular Formula C8H6ClNS
Molecular Weight 183.66
CAS Registry Number 3694-45-9
SMILES S=C=NCC1=CC=C(C=C1)Cl
InChI 1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey DEHXIHUIYSXZNH-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
1.27 (Expl.)
Boiling point 278.7±15.0°C at 760 mmHg (Cal.)
169-170°C (Expl.)
Flash point 122.4±20.4°C (Cal.)
Refractive index 1.6155 (Expl.)
Safety Data
Safety Code S26;S36/37/39;S45  Details
Risk Code R20/21/22;R34  Details
Hazard Symbol symbol  symbol  X;C  Details
Transport Information UN2922
Safety Description HARMFUL / IRRITANT
DANGER: CORROSIVE, POISON, burns skin and eyes
SDS Available
Market Analysis Reports
List of Reports Available for 4-Chlorobenzyl Isothiocyanate
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