Registration Dossier

General information

Inventory

EC number:
201-328-9
EC name:
4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
CAS number:
81-14-1

No inventory information available

Reference substance information

IUPAC name:
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
Synonyms
Names:
Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
Ethanone, 1-[4-(1,1-dimethylethyl)- 2,6-dimethyl-3,5-dinitrophenyl]-
Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
Identifier:
CAS number
81-14-1
Identifier:
IUPAC name
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
Identifier:
IUPAC name
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Identifier:
other: SMILES notation
CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone

CAS information

CAS number:
81-14-1

Molecular and structural information

Molecular formula:
C14H18N2O5
Molecular weight:
294.31
SMILES notation:
O=C(c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C
InChl:
InChI=1/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
Structural formula:
Chemical structure