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1,4-Phenylene Diisocyanate

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1,4-Phenylene Diisocyanate / CAS : 104-49-4

Appearance White to light yellow crystals UN 2811 6.1/PG 3
HS 2929109000 DG Class 6.1
Synonyms 1,4-Diisocyanatobenzene; p-Phenylene Diisocyanate; Benzene, 1,4-Diisocyanato-; p-Phenylene Isocyanate; Isocyanic acid, p-Phenylene Ester; 1,4-Phenylenediisocyanate; 4,4'-Phenylisocyanate; 1,4-Benzenediisocyanate; 1,4-Diisocyanato-Benzene; Benzene 1,4-Diisocyanate; p-Phenylenediisocyanate; Trans-Styrilacetic acid; Benzene,4-Diisocyanato-; Paraphenylene Diisocyanate; Phenylene-1,4-Diisocyanate; 1,4-Phenylenebis(Isocyanate)
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Properties

Summary

Formula
C8H4N2O2
Molecular Mass
160.13000
Exact Mass
160.02700
PSA
58.86000
Logp
1.62120
IUPAC
1,4-diisocyanatobenzene
SMILES
C1=CC(=CC=C1N=C=O)N=C=O

Attribute classification

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

Chemical and Physical Properties

Melting Point
96-99 °C(lit.)
Density
1.17g/cm3
Boiling Point
260 °C(lit.)
Flash Point
>230 °F
Appearance
White to light yellow crystals

Export information

HS Code
2929109000
Export Rebate
13%
UN No.
2811 6.1/PG 3
DG-Class
6.1
Risk Code
R20/21/22; R36/37/38; R42
Safety Label
Xn

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