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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzeneacetonitrile, 3-methyl-

N#CCc1cccc(c1)C Request for Quotation
Chemical Name: Benzeneacetonitrile, 3-methyl-
CAS Number: 2947-60-6
Product Number: AG002YI4(AGN-PC-0JLPX2)
Synonyms:
MDL No:
Molecular Formula: C9H9N
Molecular Weight: 131.1745

Identification/Properties

Properties
BP:
236.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.52(lit.)
Computed Properties
Molecular Weight:
131.178g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
131.073g/mol
Monoisotopic Mass:
131.073g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
3276
Hazard Statements:
H302+H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzeneacetonitrile, 3-methyl-, also known as 3-Methylbenzonitrile, plays a crucial role in chemical synthesis as a versatile building block. Its unique structure and reactivity make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and advanced materials.In organic synthesis, 3-Methylbenzonitrile can be used as a starting material for the synthesis of various biologically active compounds, such as pharmaceutical drugs and insecticides. Its nitrile group can undergo a range of transformations, including hydrolysis to form carboxylic acids, reduction to primary amines, and substitution reactions to introduce different functional groups.Furthermore, 3-Methylbenzonitrile serves as a key precursor in the manufacture of specialty chemicals and polymers. By incorporating this compound into synthetic routes, chemists can access a diverse array of chemical structures with tailored properties for specific applications.Overall, Benzeneacetonitrile, 3-methyl-, is a valuable tool in the hands of chemists, enabling them to create complex molecules and materials with precision and efficiency. Its versatility and utility in chemical synthesis make it an indispensable component in modern organic chemistry laboratories.