CAS
771585-72-9 Purity
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771585-72-9 Purity
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4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE
CAS
77159-76-3
Catalog Number
ACM77159763
Category
Other Products
Molecular Weight
226.07
Molecular Formula
C9H8BrNO
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Specification
Synonyms
4-Bromo-2,6-dimethylphenyl isocyanate, 77159-76-3, AG-H-08353, 5-bromo-2-isocyanato-1,3-dimethylbenzene, ST50827148, ZINC02384716, AC1NAPRS, AC1Q2HK3, 478628_ALDRICH, CTK5E3968, 4-bromo-2,6-dimethylbenzenisocyanate, AKOS009157106, 4-Bromo-2,6-dimethylphenylisocyanate;, MCULE-6962668999, KB-189654, Benzene,5-bromo-2-isocyanato-1,3-dimethyl-, FT-0617746, 5-bromanyl-2-isocyanato-1,3-dimethyl-benzene, A838984, I14-48338
IUPAC Name
5-bromo-2-isocyanato-1,3-dimethylbenzene
Canonical SMILES
CC1=CC(=CC(=C1N=C=O)C)Br
InChI Key
XGBDVSJAHTYSBK-UHFFFAOYSA-N
Boiling Point
280.5ºC at 760 mmHg
Melting Point
62-64ºC(lit.)
Flash Point
123.5ºC
Density
1.39g/cm³
Exact Mass
224.97900
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S26-S36/37/39-S45
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