AG002U97

27613-36-1 | Benzonitrile, 5-formyl-2-methyl-

AG002U97

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	27613-36-1
Catalog Number	AG002U97(AGN-PC-01RI28)
Chemical Name	Benzonitrile, 5-formyl-2-methyl-
IUPAC Name	5-formyl-2-methylbenzonitrile
InChI	InChI=1S/C9H7NO/c1-7-2-3-8(6-11)4-9(7)5-10/h2-4,6H,1H3
InChI Key	MGIDYGYXTDXIGD-UHFFFAOYSA-N
MDL Number	MFCD12197728
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	N#CC1=CC(C=O)=CC=C1C
Synonyms	5-FORMYL-2-METHYLBENZONITRILE, 27613-36-1, Benzonitrile, 5-formyl-2-methyl-, 3-cyano-4-methylbenzaldehyde, 5-Formyl-2-methyl-benzonitrile, SCHEMBL6435855, DTXSID50592687, MGIDYGYXTDXIGD-UHFFFAOYSA-N, ALBB-010674, BBL014475, MFCD12197728, ZINC39061539, AKOS005172520, MCULE-7280133635, AK309428, DS-11574, AB0157461, BB 0240288, FT-0683297, C-6172, J-016826, I01-13110, 3,4-DIMETHYLBENZALDEHYDE, Benzonitrile, 5-formyl-2-methyl- (9CI),

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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