AG003JLD

42872-79-7 | 3-Iodo-4-methylbenzonitrile

AG003JLD

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	42872-79-7
Catalog Number	AG003JLD(AGN-PC-0NHVEJ)
Chemical Name	3-Iodo-4-methylbenzonitrile
IUPAC Name	3-iodo-4-methylbenzonitrile
InChI	InChI=1S/C8H6IN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key	YGXPQBKQVKASBM-UHFFFAOYSA-N
MDL Number	MFCD06797817
Molecular Formula	C8H6IN
Molecular Weight	243.0444
SMILES	N#CC1=CC=C(C)C(I)=C1
Synonyms	3-Iodo-4-methylbenzonitrile, 42872-79-7, 4-Cyano-2-iodotoluene, Benzonitrile,3-iodo-4-methyl-, 3-IODO-4-METHYLBENZAMIDINE, PubChem23826, ACMC-20an28, 3-iodo-4-methyl-benzonitrile, SCHEMBL171718, CTK4I6730, DTXSID10478155, YGXPQBKQVKASBM-UHFFFAOYSA-N, ZX-AT013497, 3-Iodo-4-methylbenzonitrile, 97%, MFCD06797817, ZINC12957441, AKOS015889306, AS03757, FCH1324120, OR40274, ACM42872797, AJ-63286, AK117542, BBV-40199959, PS-11831, SC-41588, AX8087478, DB-027526, TC-169559, FT-0741331, ST24042234, I01-18758,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.954g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.047g/mol
Monoisotopic Mass	242.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number