4-Methylbenzyl cyanide - CAS 2947-61-7

Catalog:	BB020214
Product Name:	4-Methylbenzyl cyanide
CAS:	2947-61-7
Synonyms:	2-(4-methylphenyl)acetonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(4-methylphenyl)acetonitrile
Description:	4-Methylbenzyl cyanide (CAS# 2947-61-7) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C9H9N
Canonical SMILES:	CC1=CC=C(C=C1)CC#N
InChI:	InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChI Key:	RNHKXHKUKJXLAU-UHFFFAOYSA-N
Boiling Point:	242-243 °C
Melting Point:	18 °C
Purity:	95 %
Density:	0.992 g/cm³
Appearance:	Clear colorless to faintly yellow liquid
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00001922
LogP:	2.06108

Publication Number	Title	Priority Date
CN-111763231-A	Synthesis method and application of triphenyl phosphonium cation-containing bactericidal and acaricidal compound	20200529
CN-111548445-A	Optical activity AIE fluorescent material and preparation method of aqueous polymer thereof	20200527
CN-111393291-A	Novel synthesis method of Î± -carbonyl acid ester	20200430
WO-2021201054-A1	Non-aqueous electrolyte for battery, precursor for lithium secondary battery, method for manufacturing lithium secondary battery, lithium secondary battery, phosphazene compound, and additive for battery	20200331
CN-111205202-A	Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof	20200229

PMID	Publication Date	Title	Journal
22490328	20120410	A gallotannin-rich fraction from Caesalpinia spinosa (Molina) Kuntze displays cytotoxic activity and raises sensitivity to doxorubicin in a leukemia cell line	BMC complementary and alternative medicine
21717170	20120101	Environmental risk assessment and concentration trend of atmospheric volatile organic compounds in Hyogo Prefecture, Japan	Environmental science and pollution research international
21995924	20111107	1064 nm dispersive multichannel Raman spectroscopy for the analysis of plant lignin	Analytica chimica acta
22069703	20110301	Mycobiota and aflatoxin B1 in feed for farmed sea bass (Dicentrarchus labrax)	Toxins
21577869	20090909	(2Z)-2-(4-Methyl-phen-yl)-3-(2-naphth-yl)prop-2-enenitrile	Acta crystallographica. Section E, Structure reports online

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1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
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[618-40-6]
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GHS Hazard Statement:	H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.073499291
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1