CAS
49638-64-4 Purity
>98.0%(GC)
49638-64-4 Purity
>98.0%(GC)
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4-ISOCYANATO ACETOPHENONE
CAS
49647-20-3
Catalog Number
ACM49647203
Category
Other Products
Molecular Weight
161.16
Molecular Formula
C9H7NO2
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Specification
Synonyms
4-Acetylphenyl isocyanate, 4-Isocyanatoacetophenone, 1-(4-Isocyanatophenyl)ethanone, 439932_ALDRICH, 4-ISOCYANATO ACETOPHENONE, ALBB-003042, Ethanone, 1-(4-isocyanatophenyl)-, NSC223088, ZINC01756749, 49647-20-3
IUPAC Name
1-(4-isocyanatophenyl)ethanone
Canonical SMILES
CC(=O)C1=CC=C(C=C1)N=C=O
InChI Key
MOZSVHZOUDIZMF-UHFFFAOYSA-N
Boiling Point
139ºC (14 torr)
Melting Point
35-37ºC
Flash Point
107.7ºC
Density
1.09g/cm³
Exact Mass
161.04800
Hazard Statements
Xn: Harmful;Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S26-S36/37/39-S45
WGK Germany
3
Downstream Synthesis Route 1
- 49647-20-3
- 88284-48-4
- 23600-83-1
- 1756-32-7
Reference: [1] European Journal of Organic Chemistry, 2012, # 2, p. 247 - 250
Downstream Synthesis Route 2
- 610-97-9
- 49647-20-3
- 40101-59-5
Reference: [1]Medicinal Chemistry Research,1996,vol. 6,p. 22 - 27
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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