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Reference substances

Reference substances

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General information

Inventory

EC number:
206-341-3
EC name:
α,α,α-trifluoro-3-tolyl isocyanate
CAS number:
329-01-1

No inventory information available

Reference substance information

IUPAC name:
1-isocyanato-3-(trifluoromethyl)benzene
Synonyms
Names:
Benzene, 1-isocyanato-3-(trifluoromethyl)-
1-isocyanato-3-(trifluoromethyl)benzene

CAS information

CAS number:
329-01-1

Molecular and structural information

Molecular formula:
C8H4F3NO
Molecular weight:
ca. 187.119
SMILES notation:
FC(F)(F)c1cccc(c1)N=C=O
InChl:
InChI=1/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
Structural formula:
Chemical structure