AG00101D

132-75-2 | 1-Naphthaleneacetonitrile

AG00101D

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CAS Number	132-75-2
Catalog Number	AG00101D(AGN-PC-0JK8MP)
Chemical Name	1-Naphthaleneacetonitrile
EC Number	205-078-1
IUPAC Name	2-naphthalen-1-ylacetonitrile
InChI	InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChI Key	OQRMWUNUKVUHQO-UHFFFAOYSA-N
MDL Number	MFCD00004041
Molecular Formula	C12H9N
Molecular Weight	167.2066
NSC Number	9844
SMILES	N#CCC1=C2C=CC=CC2=CC=C1
UNII	OV0P82P2R0
Synonyms	132-75-2, 1-Naphthylacetonitrile, 2-(Naphthalen-1-yl)acetonitrile, 1-Naphthyl acetonitrile, 1-NAPHTHALENEACETONITRILE, Acetonitrile, (1-naphthyl)-, alpha-Naphthylacetonitrile, alpha-Naphthyl acetonitrile, 1-Naphthylmethylcyanide, .alpha.-Naphthylacetonitrile, 2-(1-naphthyl)acetonitrile, MFCD00004041, 2-naphthalen-1-ylacetonitrile, alpha-(1-Naphthyl)acetonitrile, Naphthaleneacetonitrile, NSC 9844, EINECS 205-078-1, BRN 1101012, UNII-OV0P82P2R0, AI3-26061, OV0P82P2R0, .alpha.-(1-naphthyl)acetonitrile, OQRMWUNUKVUHQO-UHFFFAOYSA-N, 2-naphthylethanenitrile, naphthylacetonitrile, 1-naphtylacetonitrile, PubChem9364, Naphazoline Impurity C, 1-naphthyl-acetonitrile, 1-naphthylaceto-nitrile, naphth-1-ylacetonitrile, ACMC-209bpy, (1-naphthyl)acetonitrile, AC1L1RBJ, 1-Naphthyl Aceto Nitrile, Naphthalene-1-acetonitrile, naphthalen-1-ylacetonitrile, AC1Q4S0U, naphthalen-1-yl-acetonitrile, .alpha.-naphthyl acetonitrile, WLN: L66J B1CN, 4-09-00-02428 (Beilstein Handbook Reference), KSC180K2J, 1-Naphthylacetonitrile, 97%, SCHEMBL182660, DTXSID3059630, CTK0I0524, KS-00000IRO, NSC9844, ACN-S004011, NSC-9844, ZINC1700216, ANW-19460, SBB056313, STL182770, AKOS000155895, AC-5788, CS-W021449, FS-2653, MCULE-6881410875, TRA0169461, AJ-30464, AK-57921, AN-10651, CJ-06682, CJ-28700, L321, LS-13296, SC-00810, DB-038067, RT-000482, ST2409401, TL8000777, FT-0608130, N0366, ST50406143, EN300-37277, 32N752, M-6896, I13-0036, W-108309, (Naphthalen-1-yl)acetonitrile (1-Naphthylacetonitrile), Z1217910530, 2-Naphthylacetonitrile, |A-Naphthylacetonitrile, C12H9N, CID8596, C12-H9-N, 1-Naphthylacetonitrile, 97.5% - 100G 100g, 7498-57-9,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.073g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.211g/mol
Monoisotopic Mass	167.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335-H331
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501a
UN Code	\N

Certificate of Analysis

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