AG00I9UB

552-45-4 | 2-Methylbenzyl chloride

AG00I9UB

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CAS Number	552-45-4
Catalog Number	AG00I9UB(AGN-PC-0WA6Z9)
Chemical Name	2-Methylbenzyl chloride
EC Number	209-013-8
IUPAC Name	1-(chloromethyl)-2-methylbenzene
InChI	InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChI Key	VQRBXYBBGHOGFT-UHFFFAOYSA-N
MDL Number	MFCD00000899
Molecular Formula	C8H9Cl
Molecular Weight	140.6101
SMILES	CC1=CC=CC=C1CCl
UN Number	1993
UNII	EQT3V044TW
Synonyms	2-Methylbenzyl chloride, 552-45-4, 1-(Chloromethyl)-2-methylbenzene, ALPHA-CHLORO-O-XYLENE, o-Xylyl chloride, o-Methylbenzyl chloride, o-(Chloromethyl)toluene, Benzene, 1-(chloromethyl)-2-methyl-, 2-Methylbenzylchloride, 2-(Chloromethyl)toluene, 1-Chloromethyl-2-methyl-benzene, UNII-EQT3V044TW, 1-(Chloromethyl)-2-Methyl-Benzene, MFCD00000899, o-Xylene, .alpha.-chloro-, EQT3V044TW, VQRBXYBBGHOGFT-UHFFFAOYSA-N, alpha-Chloro-o-xylene, 99%, omega-Chloro-o-xylene, o-Xylyl-alpha-chloride, o-Xylene, alpha-chloro-, o-Xylylchlorid, Benzene, (chloromethyl)methyl-, HSDB 2681, EINECS 209-013-8, alpha-chloro o-xylene, PubChem7487, alpha-chloro-orthoxylene, 2-methyl-benzyl chloride, AC1L1WLN, .alpha.-Chloro-o-xylene, .omega.-Chloro-o-xylene, o-Xylyl-.alpha.-chloride, ACMC-1AQ0Z, 2-CH3C6H4CH2Cl, .alpha.-Chloro-ortho-xylene, DSSTox_CID_24441, DSSTox_RID_80231, DSSTox_GSID_44441, SCHEMBL52225, KSC193E0N, 1-Chloromethyl-2-methylbenzene, 2-Methylbenzyl chloride, 99%, AC1Q2F23, AC1Q2R13, CHEMBL3183322, DTXSID5044441, CTK0J3206, ZINC2034794, Tox21_302160, ANW-32272, BBL009703, SBB040606, STL141068, AKOS000121523, AS03843, MCULE-2014896403, TRA0099462, KS-00000D32, NCGC00255750-01, 99765-61-4, AJ-33012, AM100941, AN-45846, AS-10899, CAS-552-45-4, CJ-31934, SC-76845, DB-000160, RT-000937, ST2415081, FT-0632374, A26507, I01-5869, F2190-0256, 1-(Chloromethyl)-2-methyl-benzen;2-(Chloromethyl)toluene, InChI=1/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H, 26519-66-4, ?-Chloro-o-xylene, |A-chloro-o-xylene, C8H9Cl, Methyl-2-benzyle chlorure, Xylene, .alpha.-chloro-, C8-H9-Cl, CID11093, c0864, NA1993, UN1993, H0845,

Complexity	80.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.039g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.61g/mol
Monoisotopic Mass	140.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number