CAS Registry Number: 1432-42-4

Name:

Ethanone, 1-​(4-​amino-​3-​nitrophenyl)​-
Acetophenone, 4-​amino-​3-​nitro- (4CI); Acetophenone, 4'-​amino-​3'-​nitro- (7CI,​8CI); 1-​(4-​Amino-​3-​nitrophenyl)​ethanone; 2-​Nitro-​4-​acetylaniline; 3-​Nitro-​4-​aminoacetophenone; 4-​Acetyl-​2-​nitroaniline; 4-​Amino-​3-​nitroacetophenone; 4-​Methylcarbonyl-​2-​nitrobenzenamine; 4'-​Amino-​3'-​nitroacetophenone 

Chemical Formula: C8H8N2O3
Exact Mass: 180.05
Molecular Weight: 180.16
m/z: 180.05 (100.0%), 181.06 (8.9%)
Elemental Analysis: C, 53.33; H, 4.48; N, 15.55; O, 26.64

InChI: InChI=1S/C8H8N2O3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,9H2,1H3
InChIKey: VEIXVSPCPGWULB-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

Specification

98%

1. (1) Mayer, Fritz; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1932, V65B, P1333-7 CAPLUS
2. (2) Borsche, Walther; Justus Liebigs Annalen der Chemie 1942, V553, P250-9 CAPLUS
3. (3) Gopalakrishnan, M.; Catalysis Communications 2005, V6(12), P753-756 CAPLUS
4. (4) Gibson, Charles S.; Journal of the Chemical Society 1931, P2388-407 CAPLUS