AG003HRQ

7498-57-9 | 2-(Naphthalen-2-yl)acetonitrile

AG003HRQ

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CAS Number	7498-57-9
Catalog Number	AG003HRQ(AGN-PC-0JLTML)
Chemical Name	2-(Naphthalen-2-yl)acetonitrile
EC Number	231-352-5
IUPAC Name	2-naphthalen-2-ylacetonitrile
InChI	InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2
InChI Key	LPCWDVLDJVZIHA-UHFFFAOYSA-N
MDL Number	MFCD00004122
Molecular Formula	C12H9N
Molecular Weight	167.2066
NSC Number	407556
SMILES	N#CCC1=CC=C2C=CC=CC2=C1
Synonyms	2-Naphthylacetonitrile, 7498-57-9, 2-(Naphthalen-2-yl)acetonitrile, 2-Naphthaleneacetonitrile, 2-Naphthyl acetonitrile, naphthalene-2-acetonitrile, 2-(2-naphthyl)acetonitrile, MFCD00004122, .beta.-Naphthyleneacetonitrile, 2-naphthalen-2-ylacetonitrile, 2-naphtylacetonitrile, 2-Napthylacetonitrile, 2-Naphthylmethylcyanide, 2-naphthyl-acetonitrile, EINECS 231-352-5, NSC407556, 2-(2-naphthyl)ethanenitrile, LPCWDVLDJVZIHA-UHFFFAOYSA-N, AC-907/25014298, (naphthalen-2-yl)acetonitrile, 33108-85-9, naphth-2-ylacetonitrile, ACMC-209owq, naphthalen-2-yl-acetonitrile, KSC377C5J, 2-Naphthylacetonitrile, 97%, SCHEMBL348813, AC1L32K3, CTK2H7154, DTXSID90225942, ZINC967334, ACT02942, KS-000001DJ, AC-642, ANW-36552, SBB067059, AKOS009156882, MCULE-8222326489, NSC-407556, TRA0057995, VZ25038, AJ-24464, AK-79286, AN-15634, BC201267, CJ-04591, SC-16642, SY015803, TS-02257, ZB015396, AB0061606, DB-021412, RT-001026, ST2404051, TL8005152, FT-0613114, N0874, ST50406760, Z-4337, MFCD00004122 (97+%), 498N579, I14-0886, W-104401, C12-H9-N, CID82008, 2-Naphthylacetonitrile, 98% - 25G 25g,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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