5-Chloro-2-methylbenzonitrile - CAS 50712-70-4

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

Catalog:	BB027190
Product Name:	5-Chloro-2-methylbenzonitrile
CAS:	50712-70-4
Synonyms:	5-chloro-2-methylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2-methylbenzonitrile
Description:	5-Chloro-2-methylbenzonitrile (CAS# 50712-70-4 ) is a useful research chemical.
Molecular Weight:	151.59
Molecular Formula:	C8H6ClN
Canonical SMILES:	CC1=C(C=C(C=C1)Cl)C#N
InChI:	InChI=1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChI Key:	HFBZPKYQUFLCEL-UHFFFAOYSA-N
Boiling Point:	86 °C / 3mmHg
Melting Point:	43-45 °C
Purity:	95 %
Density:	1.19 g/cm³
Appearance:	White to tan solid, powder, crystal, crystalline solid and/or chunks
MDL:	MFCD00045599
LogP:	2.52008

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112457265-A	Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition	20201106
WO-2021126693-A1	Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof	20191218
WO-2020236692-A1	Pyridinone derivatives as selective cytotoxic agents against hiv infected cells	20190522
CN-111943898-A	Benzotetrazole derivatives, preparation method thereof, pharmaceutical composition containing same and application thereof	20190517
US-10981894-B2	Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof	20180605

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0188769
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3