AG003K95

5697-44-9 | 2-Tosylacetonitrile

AG003K95

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	5697-44-9
Catalog Number	AG003K95(AGN-PC-0JLS8K)
Chemical Name	2-Tosylacetonitrile
EC Number	227-173-7
IUPAC Name	2-(4-methylphenyl)sulfonylacetonitrile
InChI	InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChI Key	BBNNLJMGPASZPD-UHFFFAOYSA-N
MDL Number	MFCD00039487
Molecular Formula	C9H9NO2S
Molecular Weight	195.2383
NSC Number	125922
SMILES	N#CCS(=O)(C1=CC=C(C)C=C1)=O
Synonyms	5697-44-9, p-Toluenesulfonylacetonitrile, 2-tosylacetonitrile, [(4-Methylphenyl)sulfonyl]acetonitrile, Tosylacetonitrile, p-Tolylsulfonylacetonitrile, 4-Toluenesulfonylacetonitrile, 4-(Methylphenyl)sulfonylacetonitrile, 4-toluenesulphonylacetonitrile, p-(Cyanomethylsulfonyl)toluene, Tosylmethyl Isocyanide-, 2-(4-methylbenzenesulfonyl)acetonitrile, P-toluenesulphonylacetonitrile, Acetonitrile, [(4-methylphenyl)sulfonyl]-, BBNNLJMGPASZPD-UHFFFAOYSA-N, MFCD00039487, 2-(4-methylphenyl)sulfonylacetonitrile, 2-[(4-methylphenyl)sulfonyl]ethanenitrile, (Toluene-4-sulfonyl)-acetonitrile, EINECS 227-173-7, NSC125922, ACMC-209lvb, AC1Q6TXZ, Maybridge3_003461, p-tolylsulphonyl-acetonitrile, 4-(Toluenesulfonyl)acetonitrile, AC1L2Y49, SCHEMBL1169954, 4-(toluenesulphonyl)acetonitrile, (toluene-4-sulfonyl)acetonitrile, BBNNLJMGPASZPD-UHFFFAOYSA-, CTK3J7994, DTXSID90205547, HMS1440N07, ZINC153619, (4-methylphenyl)sulfonylacetonitrile, ACT09868, KS-000016DT, 5820AE, ANW-32613, BBL023506, HTS000974, SBB015279, STK400675, AKOS000264739, AC-1441, FS-1061, MCULE-5557893409, NSC-125922, RTR-019937, [(4-Methylphenyl)sulphonyl]acetonitrile, IDI1_014848, [(4-Methylphenyl)sulfonyl]acetonitrile #, AJ-13040, BC218688, SC-31015, SY048449, ZB005496, AB0006875, AB1005613, TR-019937, BB 0219426, CS-0063812, FT-0635810, ST24041035, ST50032547, MFCD00039487 (97%), L-4379, I01-8446, F1085-0009, 4-(Methylphenyl)sulfonylacetonitrile; 4-Methylbenzenesulfonylacetonitrile, 2-tosylacetonitrile;4-(Toluenesulphonyl)acetonitrile; p-Toluenesulfonylacetonitrile, InChI=1/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3, Tosylmethyl isocyanide, 4- sulfonylacetonitrile, C9H9NO2S, C9-H9-N-O2-S, CID79776, AR-1L2567, Acetonitrile, ((4-methylphenyl)sulfonyl)-, A8140, T0846, 36635-61-7, 58647-67-9,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.236g/mol
Monoisotopic Mass	195.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 3439

Certificate of Analysis

Lot Number