2-Amino-2'-chloro-5-nitro benzophenone - CAS 2011-66-7

Name: 2-Amino-2'-chloro-5-nitro benzophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015661
Product Name:	2-Amino-2'-chloro-5-nitro benzophenone
CAS:	2011-66-7
Synonyms:	(2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone; (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone

Technical Data

IUPAC Name:	(2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone
Description:	(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone (CAS# 2011-66-7) is an impurity of Clonazepam (C587080).
Molecular Weight:	276.68
Molecular Formula:	C13H9ClN2O3
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl
InChI:	InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
InChI Key:	GRDGBWVSVMLKBV-UHFFFAOYSA-N
Boiling Point:	505.8 °C at 760 mmHg
Purity:	98.0%
Density:	1.428 g/cm³
MDL:	MFCD00792453
LogP:	4.16580

GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P264, P270, P273, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22064922	20110901	2-Chloro-N-[2-(2-fluoro-benzo-yl)-4-nitro-phen-yl]-N-methyl-acetamide	Acta crystallographica. Section E, Structure reports online
22091028	20110801	Methyl 2-(4-hy-droxy-benzo-yl)benzoate	Acta crystallographica. Section E, Structure reports online
21583597	20090718	2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone	Acta crystallographica. Section E, Structure reports online

Complexity:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.0301698
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.0301698
Rotatable Bond Count:	2
Topological Polar Surface Area:	88.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6