AG0029V9

2051-18-5 | 4-Isopropylbenzyl chloride, tech grade

AG0029V9

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CAS Number	2051-18-5
Catalog Number	AG0029V9(AGN-PC-0JLBXI)
Chemical Name	4-Isopropylbenzyl chloride, tech grade
EC Number	218-114-6
IUPAC Name	1-(chloromethyl)-4-propan-2-ylbenzene
InChI	InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key	CYAKWEQUWJAHLW-UHFFFAOYSA-N
MDL Number	MFCD00018885
Molecular Formula	C10H13Cl
Molecular Weight	168.6632
NSC Number	33915
SMILES	CC(C1=CC=C(C=C1)CCl)C
Synonyms	4-Isopropylbenzyl chloride, 2051-18-5, 1-(chloromethyl)-4-isopropylbenzene, p-Cymene, 7-chloro-, p-Isopropylbenzyl chloride, 7-Chloro-p-cymene, Benzene, 1-(chloromethyl)-4-(1-methylethyl)-, 4-Isopropylbenzylchloride, 1-(chloromethyl)-4-(propan-2-yl)benzene, p-Isopropyl benzyl chloride, Benzene, 1-(chloromethyl)-4-(methylethyl)-, CYAKWEQUWJAHLW-UHFFFAOYSA-N, MFCD00018885, 1-(chloromethyl)-4-propan-2-ylbenzene, Cuminylchlorid, Cuminyl chloride, EINECS 218-114-6, NSC 33915, p-Isopropylbenzylchoride, p-Isopropylbenzylchloride, AC1L2MVQ, AC1Q1ONJ, ACMC-1CG9M, 4-iso-Propylbenzyl chloride, 4-Isopropyl benzyl chloride, AC1Q3U8Q, para-isopropylbenzyl chloride, SCHEMBL51783, KSC497E1P, para-isopropyl-benzyl chloride, DTXSID9062144, CTK3J7217, 4-(1-methylethyl)benzyl chloride, 4-Isopropylbenzyl chloride, 97%, 1-chloromethyl-4-isopropyl-benzene, ACN-S004604, KS-00000D3G, NSC33915, ZINC1665968, ANW-42395, BBL027849, NSC-33915, SBB042664, STK801403, 1-(chloromethyl)-4-isopropyl-benzene, AKOS000121576, 4-Isopropylbenzyl chloride, tech grade, MCULE-9167974568, RTR-030641, TRA0082079, 4-(chloromethyl)-1-(methylethyl)benzene, AJ-29008, AN-50170, CJ-06048, CJ-26942, R602, Benzene, 1-chloromethyl-4-(1-methylethyl), DB-000232, ST2403254, TR-030641, FT-0618836, I0225, X4469, Z-0089, I01-7368, C10H13Cl, C10-H13-Cl, CID74916, AR-1K9796, 7350-91-6,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.071g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.664g/mol
Monoisotopic Mass	168.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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