2-Chloro-6-methylphenyl isothiocyanate
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2-Chloro-6-methylphenyl isothiocyanate
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CAS No:
19241-34-0
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Formula:
C8H6ClNS
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Chemical Name:
2-Chloro-6-methylphenyl isothiocyanate
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Synonyms:
6-CHLORO-2-METHYLPHENYLISOCYANATE;2-CHLORO-6-METHYLPHENYL ISOCYANATE;2-CHLORO-6-METHYLPHENYL ISOTHIOCYANATE;2-Chloro-6-methylphenyl isothiocyanate, 95+%;2-CHLORO-6-METHYLPHENYL ISOTHIOCYANATE 98%;3-Chloro-2-isothiocyanatotoluene;3-Chloro-2-isothiocyanatotoluene, 1-Chloro-2-isothiocyanato-3-methylbenzene
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CAS No:
Characteristics
44.4
3.38270
1.231 g/mL at 25 °C(lit.)
80 °C2 mm Hg(lit.)
225 °F
n 20/D 1.555(lit.)
0-6°C
0.00412mmHg at 25°C
Safety Information
TOXIC
UN 2206 6.1/PG 2
3
20/21/22-36/37/38
26-36/37/39
Xn,T,C
Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Computed Properties
Molecular Weight:183.66
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-6-methylphenyl isothiocyanate
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