2-Methylbenzamide - CAS 527-85-5

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

Catalog:	BB027949
Product Name:	2-Methylbenzamide
CAS:	527-85-5
Synonyms:	2-methylbenzamide

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Computed Properties

IUPAC Name:	2-methylbenzamide
Description:	2-Methylbenzamide (CAS# 527-85-5) is a useful research chemical.
Molecular Weight:	135.16
Molecular Formula:	C8H9NO
Canonical SMILES:	CC1=CC=CC=C1C(=O)N
InChI:	InChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI Key:	XXUNIGZDNWWYED-UHFFFAOYSA-N
Boiling Point:	254.3 °C at 760 mmHg
Melting Point:	141-142 °C (lit.)
Purity:	95 %
Density:	1.086 g/cm³
Solubility:	less than 1 mg/mL at 72 °F
Appearance:	White powder.
MDL:	MFCD00007982
LogP:	1.79420
Vapor Pressure:	0.000319 [mmHg]

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Related Functional Groups

Carbonyl Compounds

[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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22536149	20120101	Zinc oxide nanoparticles catalyzed condensation reaction of isocoumarins and 1,7-heptadiamine in the formation of bis-isoquinolinones	TheScientificWorldJournal
22574506	20120101	Metabolic stability of new anticonvulsants in body fluids and organ homogenates	Acta poloniae pharmaceutica
18591826	20080701	First total synthesis of the phenolic 7,8-dihydro-8-oxoprotoberberine alkaloid, cerasonine	Chemical & pharmaceutical bulletin
18277600	20080101	Application of coupling reaction between lithiated toluamide and benzonitrile for the synthesis of phenolic benzo[c]phenanthridine alkaloid, oxyterihanine	Archives of pharmacal research
16595948	20060401	Total synthesis of oxyfagaronine, phenolic benzo[c]phenanthridine and general synthetic way of 2,3,7,8- and 2,3,8,9-tetrasubstituted benzo[c]phenanthridine alkaloids	Chemical & pharmaceutical bulletin

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.068413911
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8