AG00BC31

21789-36-6 | 2,4-Dimethylbenzonitrile

AG00BC31

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	21789-36-6
Catalog Number	AG00BC31(AGN-PC-0JLXTJ)
Chemical Name	2,4-Dimethylbenzonitrile
EC Number	244-580-5
IUPAC Name	2,4-dimethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3
InChI Key	QLZDTHTXOUOSCV-UHFFFAOYSA-N
MDL Number	MFCD00016377
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	N#CC1=CC=C(C)C=C1C
UNII	Y98DL78H3C
Synonyms	2,4-Dimethylbenzonitrile, 21789-36-6, Benzonitrile, 2,4-dimethyl-, 2,4-dimethyl-benzonitrile, 4-Cyano-m-xylene, Benzonitrile,2,4-dimethyl-, UNII-Y98DL78H3C, Y98DL78H3C, QLZDTHTXOUOSCV-UHFFFAOYSA-N, 2,4-dimethylbenzenecarbonitrile, 2,4-Dimethylbenzonitril, AC1Q4RFM, 2,4-Dimethyl benzonitrile, AC1L3H0Y, SCHEMBL277588, NIOSH/DI4357700, CTK4E7685, DTXSID40176197, 2,4-Dimethylbenzonitril [German], KS-00000MO1, STR08989, ZINC2146833, EINECS 244-580-5, 7417AD, MFCD00016377, SBB085784, AKOS008969312, MCULE-1577275737, AK326723, CJ-33010, LS-38696, SC-13701, DB-019988, TR-010222, D4495, DI43577000, FT-0610172, ST50409809, A18460, Y-8937, I01-13638, C9H9N, CID89046, AR-1D3719, ZINC02146833, ACN-042508, 22274-86-8,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number