4-Methylphenyl isothiocyanate

CAS No. 622-59-3

Formula: C8H7NS
Basic Info

Formula
C8H7NS
Molecular Weight
149.213
Exact Mass
149.03
LogP
2.7293
PSA
44.45
Synonyms

1-isothiocyanato-4-methylbenzene

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Properties
Appearance & Physical State
White to yellow Solid
Density
1.02 g/cm3
Boiling Point
237ºC
Melting Point
25-26ºC
Flash Point
107ºC
Refractive Index
1.6335-1.6355
Safety Info
RTECS
NX9500000
Safety Statements
S26-S36/37/39-S45
WGK Germany
3
Risk Statements
R23/24/25; R36/37/38; R42/43
HS Code
2930909090
RIDADR
UN 2811
Hazard Class
6.1
Packing Group
III
Caution Statement
P261; P280; P305 + P351 + P338; P342 + P311
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : liquid film
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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
150 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
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