Benzoic acid,3-(acetylamino)-5-nitro- (5464-58-4)

Identification
Name:	Benzoic acid,3-(acetylamino)-5-nitro-
Synonyms:	Benzoicacid, 3-acetamido-5-nitro- (6CI,7CI,8CI); 3-Acetamido-5-nitrobenzoic acid; NSC15321
CAS:	5464-58-4
EINECS:	226-760-5
Molecular Formula:	C9H8 N2 O5
Molecular Weight:	224.17
InChI:	InChI=1/C9H8N2O5/c1-5(12)10-7-2-6(9(13)14)3-8(4-7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
Molecular Structure:
Properties
Flash Point:	251.6°C
Boiling Point:	492.3°Cat760mmHg
Density:	1.526g/cm³
Refractive index:	1.656
Specification:	3-Acetamido-5-nitrobenzoic acid (CAS NO.5464-58-4), its Synonyms are Benzoic acid,3-(acetylamino)-5-nitro- ; Benzoicacid, 3-acetamido-5-nitro- (6CI,7CI,8CI) . The mustard derivative, bis-N,N'-[3-(N-(2-chloroethyl)-N-ethyl)amino-5- [N,N-dimethylamino)methyl)aminophenyl]-1,4-benzenedicarboxamide has been synthesized from 3-Acetamido-5-nitrobenzoic acid in a 6-step procedure. This compound alkylates exclusively in the minor groove of DNA, at the N3 site of adenines occurring in sequences of runs of adenines and (to a small extent) at 5'-TA and 5'-AT sites. Gel electrophoresis studies and in vitro cytotoxicity assays against repair-deficient AA8 mutant cell lines show it has a high degree of DNA interstrand cross-linking ability.
Flash Point:	251.6°C
Safety Data