1-chloro-4-isothiocyanatobenzene

CAS No. 2131-55-7

Formula: C7H4ClNS
Basic Info

Formula
C7H4ClNS
Molecular Weight
169.631
Exact Mass
168.975
LogP
3.0743
PSA
44.45
Synonyms

Benzene,1-chloro-4-isothiocyanato

4-Chlor-phenyl-isothiocyanat

p-Chlorophenyl isothiocyanate

Isothiocyanic acid,p-chlorophenyl ester

Benzene, 1-chloro-4-isothiocyanato-

1-chloro-4-isothiocyanato-benzene

4-Chlorophenyl isothiocyanate

Isothiocyanic Acid 4-Chlorophenyl Ester

p-Cl-Ph-NCS

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Properties
Appearance & Physical State
light yellow crystalline mass
Density
1.21g/cm3
Boiling Point
135-136ºC(24 torr)
Melting Point
43-136ºC
Flash Point
105.1ºC
Refractive Index
1.593
Storage Condition
Refrigerator (+4ºC)
Vapor Pressure
0.0347mmHg at 25°C
Safety Info
RTECS
NX8473000
Safety Statements
S26-S36/37/39-S45
WGK Germany
3
Risk Statements
R23/24/25; R36/37/38
HS Code
2930909090
RIDADR
UN 2206 6.1/PG 2
Hazard Class
8
Packing Group
III
Caution Statement
P261; P280; P301 + P310; P305 + P351 + P338; P311
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Toxicity
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
100 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Intraperitoneal
Species Observed
Rodent - mouse
Dose/Duration
100 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971
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