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Structure

Benzene,1-chloro-2-isothiocyanato-3-methyl-

CAS
19241-34-0
Catalog Number
ACM19241340
Category
Other Products
Molecular Weight
167.59
Molecular Formula
C8H6ClNS

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Specification

Synonyms
2-Chloro-6-Methylphenyl Isothiocyanate, 19241-34-0, 1-chloro-2-isothiocyanato-3-methylbenzene, ZINC00164773, AC1MVEQQ, AC1Q2NH₃, KSC496C0R, 3-Chloro-2-isothiocyanatotoluene, CTK3J6108, MolPort-000-146-105, 2-chloro-6-methylbenzenisothiocyanate, SBB090091, AKOS006227798, AG-E-40566, SB01714, BP-13233, KB-22748, FT-0611882, Isothiocyanicacid, 6-chloro-o-tolyl ester (8CI); 2-Chloro-6-methylphenylisothiocyanate
IUPAC Name
1-chloro-2-isothiocyanato-3-methylbenzene
Canonical SMILES
CC1=C(C(=CC=C1)Cl)N=C=S
InChI Key
MLQPKPCDKLACIG-UHFFFAOYSA-N
Boiling Point
288.2ºC at 760mmHg
Flash Point
128.1ºC
Density
1.18g/cm³
Exact Mass
182.99100
Hazard Statements
Xn,T,C
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
26-36/37/39

Upstream Synthesis Route 1

  • 463-71-8
  • 87-63-8
  • 19241-34-0

Reference: [1]Browne; Dyson
[Journal of the Chemical Society, 1931, p. 3285,3299]

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