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AG0034IC

Name: Benzyl Isocyanate
Brand: Angene Chemical
SKU: AG0034IC

3173-56-6 | Benzyl Isocyanate

Chemical structure of Benzyl Isocyanate, CAS 3173-56-6

AG0034IC

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CAS Number	3173-56-6
Catalog Number	AG0034IC(AGN-PC-0WACKA)
Chemical Name	Benzyl Isocyanate
EC Number	221-640-9
IUPAC Name	isocyanatomethylbenzene
InChI	InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI Key	YDNLNVZZTACNJX-UHFFFAOYSA-N
MDL Number	MFCD00009701
Molecular Formula	C8H7NO
Molecular Weight	133.1473
NSC Number	118415
SMILES	O=C=NCc1ccccc1
UNII	8I2LI357GQ
Synonyms	Benzyl isocyanate, 3173-56-6, (Isocyanatomethyl)benzene, Benzylisocyanate, Isocyanatomethylbenzene, Isocyanic Acid Benzyl Ester, Benzene, (isocyanatomethyl)-, 1-(isocyanatomethyl)benzene, phenylmethyl isocyanate, UNII-8I2LI357GQ, 8I2LI357GQ, YDNLNVZZTACNJX-UHFFFAOYSA-N, phenylmethanisocyanate, MFCD00009701, Benzyl isocyanate, 99+%, 25550-57-6, Benzene, isocyanatomethyl-, benzyl isocynate, EINECS 221-640-9, phenylmethylisocyanate, NSC118415, ACMC-209hok, AC1L2RCM, AC1Q6BNE, AC1Q6BOM, Benzyl isocyanate, 99%, (Isocyanatomethyl)benzene #, Benzene,(isocyanatomethyl)-, SCHEMBL5966, KSC265G2N, Isocyanate on Merrifield resin, AMBZ0271, Benzyl isocyanate on polystyrene, KS-00000VWU, ALBB-007528, ZINC1708235, ANW-27186, GEO-00302, SBB048859, STK504597, AKOS000265473, AM85723, MCULE-9188065066, NSC-118415, QC-4246, RP20057, RTR-033282, TRA0008941, A493, AN-21755, AS-17365, CJ-28960, SC-27328, U747, AB0019441, AB1003312, DB-048095, TR-033282, BB 0253728, FT-0604983, I0426, ST50947288, K-7460, 137143-EP2284157A1, 137143-EP2292606A1, 173B566, I01-0791, J-650077, W-106880, F2163-0007, Methyl isocyanate, polymer-supported, 1.5-1.9 mmol/g on polystyrene, null, Isocyanatomethyl-benzene, C8H7NO, Benzyl isocyanate, 98% 1g, C8-H7-N-O, CID76639, Benzyl isocyanate, 98% - 1G 1g, AR-1J2668, ACN-029195, 3301-81-3,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(3)
Hazard statements	H226-H315-H317-H319-H334-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 3080

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Chemical Structure:	CAS Registry No:
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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited