Methyl 4-Cyanobutanoate - CAS 41126-15-2

Name: Methyl 4-Cyanobutanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024800
Product Name:	Methyl 4-Cyanobutanoate
CAS:	41126-15-2
Synonyms:	4-cyanobutanoic acid methyl ester; methyl 4-cyanobutanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-cyanobutanoate
Description:	Methyl 4-Cyanobutanoate (CAS# 41126-15-2) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	COC(=O)CCCC#N
InChI:	InChI=1S/C6H9NO2/c1-9-6(8)4-2-3-5-7/h2-4H2,1H3
InChI Key:	UKLXOVLDIFDCED-UHFFFAOYSA-N
Appearance:	Colorless to yellow liquid
MDL:	MFCD12168338
LogP:	0.85328

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Process scale-up from lab to industrial scale

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Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): 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

Publication Number	Title	Priority Date
KR-20160020982-A	Lithium rechargeable batteries	20140816
WO-2015088051-A1	Electrolyte for lithium secondary battery and lithium secondary battery comprising same	20131209
DE-102013016573-A1	1-Tetrazolylpropan-2-ones as inhibitors of cytosolic phospholipase A2 and fatty acid amide hydrolase, in particular suitable for topical application	20131004
KR-20140067242-A	Electrolyte for lithium secondary battery and lithium secondary battery comprising same	20121126
JP-5932656-B2	Nitrile production method	20101022

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.063328530
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.063328530
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4