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Structure

Benzene,4-bromo-1-isocyanato-2-methyl-

CAS
1591-98-6
Catalog Number
ACM1591986
Category
Other Products
Molecular Weight
212.0433
Molecular Formula
C8H6 Br N O

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Specification

Synonyms
4-Bromo-2-methylphenyl isocyanate, 1591-98-6, 4-bromo-1-isocyanato-2-methylbenzene, ST50827063, 4-bromo-2-methylbenzenisocyanate, ZINC00164904, ACMC-1BPQH, AC1Q2EKK, AC1MC3O4, 5-Bromo-2-isocyanatotoluene, 478172_ALDRICH, CTK4C9994, MolPort-000-146-195, GEO-00502, SBB094574, AKOS005258249, AG-E-08530, MCULE-2037909494, Benzene,4-bromo-1-isocyanato-2-methyl-, 4-bromanyl-1-isocyanato-2-methyl-benzene
IUPAC Name
4-bromo-1-isocyanato-2-methylbenzene
Canonical SMILES
CC1=C(C=CC(=C1)Br)N=C=O
InChI Key
NXAYRHQYINQHRF-UHFFFAOYSA-N
Boiling Point
254.7ºCat 760 mmHg
Melting Point
47-50ºC
Flash Point
107.9ºC
Density
1.44 g/cm³
Exact Mass
210.96300
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S26-S36/37/39-S45
WGK Germany
3
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