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4-Chloro-2-Isothiocyanato-1-Methoxy-Benzene
[CAS# 63429-99-2]

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Identification
Name 4-Chloro-2-Isothiocyanato-1-Methoxy-Benzene
Synonyms 4-Chloro-2-Isocyanato-1-Methoxy-Benzene; Zinc00164919; Sb 01957
Molecular Structure CAS#: 63429-99-2, 4-Chloro-2-Isothiocyanato-1-Methoxy-Benzene
Molecular Formula C8H6ClNO2
Molecular Weight 183.59
CAS Registry Number 63429-99-2
SMILES O=C=NC1=CC(=CC=C1OC)Cl
InChI 1S/C8H6ClNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3
InChIKey CDRZZFCLBUGMMB-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 58-62°C (Expl.)
Boiling point 271.7±30.0°C at 760 mmHg (Cal.)
Flash point 118.1±24.6°C (Cal.)
Safety Data
Safety Code S22;S26;S36/37;S45  Details
Risk Code R20/22;R36/37/38;R42  Details
Hazard Symbol symbol  X  Details
Transport Information UN2811
Safety Description DANGER: POISON, irritates skin, eyes, lungs
SDS Available
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