CAS
159191-44-3 Purity
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159191-44-3 Purity
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1-Bromo-4-isocyanato-2-methylbenzene
CAS
1591-97-5
Catalog Number
ACM1591975
Category
Other Products
Molecular Weight
212.05
Molecular Formula
C8H6BrNO
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Specification
Synonyms
Ambnee3020293, 512087_ALDRICH, MolPort-001-794-256, 1-bromo-4-isocyanato-2-methylbenzene, 4-Bromo-3-methylphenyl isocyanate, ALBB-007533, STK504602, ZINC02387337, 1-bromo-4-isocyanato-2-methyl-benzene, CID5204800, InChI=1/C8H6BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H, 1591-97-5
IUPAC Name
1-bromo-4-isocyanato-2-methylbenzene
Canonical SMILES
CC1=C(C=CC(=C1)N=C=O)Br
InChI Key
AYFMPMKATOGAGY-UHFFFAOYSA-N
Boiling Point
245ºC(lit.)
Flash Point
>230 °F
Density
1.507 g/mL at 25ºC(lit.)
Exact Mass
210.96300
Hazard Statements
Xn
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S23
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