5-Chloro-2-nitrobenzamide - CAS 40763-96-0

Name: 5-Chloro-2-nitrobenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024658
Product Name:	5-Chloro-2-nitrobenzamide
CAS:	40763-96-0
Synonyms:	Benzamide, 5-chloro-2-nitro-; 2-Nitro-5-chlorobenzamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2-nitrobenzamide
Molecular Weight:	200.58
Molecular Formula:	C7H5ClN2O3
Canonical SMILES:	C1=CC(=C(C=C1Cl)C(=O)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H5ClN2O3/c8-4-1-2-6(10(12)13)5(3-4)7(9)11/h1-3H,(H2,9,11)
InChI Key:	MKHXTOPPKVFSFI-UHFFFAOYSA-N
Boiling Point:	301.7±27.0°C at 760 mmHg
Melting Point:	157-160°C
Purity:	95%
Density:	1.520±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to Yellow to Orange Powder to Crystal
Storage:	Store at RT
MDL:	MFCD00017509
LogP:	2.57060

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020005935-A1	Glucose uptake inhibitors	20180625
CN-102584919-A	4''-O-carbamate clarithromycin derivative with electron withdrawing group substituted terminal, preparation method for intermediate of derivative and application of derivative	20120105
US-2013102602-A1	2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions	20111020
US-2013310376-A1	2-aryl-4-quinazolinones and their pharmaceutical compositions	20111020
US-2014018363-A1	2-aryl-4-quinazolinones and their pharmaceutical compositions	20111020

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.9988697
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.9988697
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5