N,N-Dimethyl-4-nitrobenzamide - CAS 7291-01-2

Catalog:	BB066792
Product Name:	N,N-Dimethyl-4-nitrobenzamide
CAS:	7291-01-2
Synonyms:	N,N-Dimethyl-4-nitrobenzamide; Benzamide, N,N-dimethyl-4-nitro-; N,N-dimethyl-4-nitro-benzamide; Benzamide, N,N-dimethyl-p-nitro-; 4-Nitrobenzoesauredimethylamid; N,N-Dimethyl-p-nitrobenzamide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	N,N-dimethyl-4-nitrobenzamide
Description:	N,N-Dimethyl-4-nitrobenzamide
Molecular Weight:	194.19
Molecular Formula:	C9H10N2O3
Canonical SMILES:	CN(C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C9H10N2O3/c1-10(2)9(12)7-3-5-8(6-4-7)11(13)14/h3-6H,1-2H3
InChI Key:	WYOXDERVKORKJN-UHFFFAOYSA-N
Melting Point:	93-95°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow to Light Yellow Solid
Storage:	20°C

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.06914219
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.06914219
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8