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1-Isocyanato-4-Propan-2-Yl Benzene

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1-Isocyanato-4-Propan-2-Yl Benzene / CAS : 31027-31-3

Appearance Transparent colorless to yellow or orange liquid UN UN2206
HS 29291090 DG Class 6.1
Synonyms 4-Isopropylphenyl Isocyanate; 1-Isocyanato-4-Isopropyl-Benzene; P-Isopropylphenyl Isocyanate; N-(4-Isopropylphenyl)Isocyanate; 4-(2-Propyl)Phenyl Isocyanate; 4-(Methylethyl)Benzenisocyanate; 1-Isocyanato-4-(Propan-2-Yl)Benzene; 1-Isocyanato-4-Isopropylbenzene
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Properties

Summary

Formula
C10H11NO
Molecular Mass
161.20000
Exact Mass
161.08400
PSA
29.43000
Logp
2.77730
IUPAC
1-isocyanato-4-propan-2-ylbenzene
SMILES
CC(C)C1=CC=C(C=C1)N=C=O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Density
1.01 g/mL 
Boiling Point
85 °C 4 mm Hg
Flash Point
195 °F
Appearance
Transparent colorless to yellow or orange liquid
Acidity and Basicity
neutral

Export information

HS Code
29291090
Export Rebate
13%
UN No.
UN2206
DG-Class
6.1
Risk Code
R20/21/22-36/37/38-42-34-26
Safety Label
Xn,Xi,T+

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