3-Methylbutanenitrile

Base Information

Chemical Name:3-Methylbutanenitrile
CAS No.:625-28-5
Molecular Formula:C5H9 N
Molecular Weight:83.1332
Hs Code.:29269095
European Community (EC) Number:210-884-1
NSC Number:148363
UNII:N2G72X091L
DSSTox Substance ID:DTXSID0021620
Nikkaji Number:J6.858F
Wikidata:Q24763442
ChEMBL ID:CHEMBL3186839
Mol file:625-28-5.mol

Synonyms:Isovaleronitrile(6CI,7CI,8CI); 1-Cyano-2-methylpropane; 3-Methylbutanenitrile;3-Methylbutyronitrile; Isobutyl cyanide; Isopentane nitrile; NSC 148363

Suppliers and Price of 3-Methylbutanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
Isovaleronitrile >98.0%(GC)
100mL
$ 225.00

TCI Chemical
Isovaleronitrile >98.0%(GC)
25mL
$ 102.00

TCI Chemical
Isovaleronitrile >98.0%(GC)
500mL
$ 675.00

SynQuest Laboratories
Isovaleronitrile
500 mL
$ 888.00

SynQuest Laboratories
Isovaleronitrile
100 mL
$ 336.00

SynQuest Laboratories
Isovaleronitrile
25 mL
$ 200.00

Sigma-Aldrich
Isovaleronitrile 98%
25g
$ 201.00

Sigma-Aldrich
Isovaleronitrile 98%
5g
$ 64.20

Matrix Scientific
Butanenitrile 3-methyl-95%+
5g
$ 323.00

Matrix Scientific
Butanenitrile 3-methyl-95%+
2.500g
$ 215.00

Total 14 raw suppliers

Chemical Property of 3-Methylbutanenitrile

Chemical Property:

Vapor Pressure:11.2mmHg at 25°C
Melting Point:-100.8°C
Refractive Index:n20/D 1.393(lit.)
Boiling Point:128-130 ºC (730 mmHg)
Flash Point:83 ºF
PSA：23.79000
Density:0.795
LogP:1.55608
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:83.073499291
Heavy Atom Count:6
Complexity:65.3

Purity/Quality:

98%min ^*data from raw suppliers

Isovaleronitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 10-22-36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)CC#N
Uses Isovaleronitrile was used in the synthesis of a new type of nitrilase, arylacetonitrilase by Alcaligenes faecalis JM3 cells.

Technology Process of 3-Methylbutanenitrile

There total 91 articles about 3-Methylbutanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

: 541-46-8
isobutylamide

: 625-28-5
Isovaleronitrile

Guidance literature:: With lead acetate; In dichloromethane; for 12h; Reflux;
DOI:10.1016/j.mcat.2020.111313

Reference yield: 89.0%

: 61-90-5,21675-61-6,25248-98-0,70-45-1
L-leucine

: 625-28-5
Isovaleronitrile

Guidance literature:: With ammonium bromide; In methanol; water; Electrochemical reaction;
DOI:10.1002/ejoc.201403112

Reference yield: 88.0%

: 590-86-3
isovaleraldehyde

: 625-28-5
Isovaleronitrile

Guidance literature:: isovaleraldehyde; With hydroxylamine hydrochloride; sodium hydroxide; In water; at 70 ℃;

With copper diacetate; hydrazine; In acetonitrile; at 90 ℃; for 0.5h; Temperature;