AG003LL6

Name: 4-Isocyanatobenzyl cyanide
Brand: Angene Chemical
SKU: AG003LL6

59513-89-2 | 4-Isocyanatobenzyl cyanide

AG003LL6

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CAS Number	59513-89-2
Catalog Number	AG003LL6(AGN-PC-0SSIY2)
Chemical Name	4-Isocyanatobenzyl cyanide
IUPAC Name	2-(4-isocyanatophenyl)acetonitrile
InChI	InChI=1S/C9H6N2O/c10-6-5-8-1-3-9(4-2-8)11-7-12/h1-4H,5H2
InChI Key	DFMDTDBDIAZYNT-UHFFFAOYSA-N
MDL Number	MFCD03701598
Molecular Formula	C9H6N2O
Molecular Weight	158.1567
SMILES	O=C=NC1=CC=C(CC#N)C=C1
Synonyms	4-Isocyanatobenzyl cyanide, 59513-89-2, 2-(4-isocyanatophenyl)acetonitrile, ACMC-20amfz, AC1NDILP, p-cyanomethylphenyl isocyanate, SCHEMBL1190706, CTK8C5865, DTXSID30404754, 4-Isocyanatobenzyl cyanide, 97%, DFMDTDBDIAZYNT-UHFFFAOYSA-N, Benzeneacetonitrile, 4-isocyanato-, ZINC2509913, TC-168758, CID4601835, Benzeneacetonitrile, 4-isocyanato- (9CI),

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.16g/mol
Monoisotopic Mass	158.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited