AG003SYY

515-40-2 | (1-chloro-2-methylpropan-2-yl)benzene

AG003SYY

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CAS Number	515-40-2
Catalog Number	AG003SYY(AGN-PC-0JL8BB)
Chemical Name	(1-chloro-2-methylpropan-2-yl)benzene
EC Number	208-197-7
IUPAC Name	(1-chloro-2-methylpropan-2-yl)benzene
InChI	InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key	DNXXUUPUQXSUFH-UHFFFAOYSA-N
MDL Number	MFCD00000940
Molecular Formula	C10H13Cl
Molecular Weight	168.6632
SMILES	CC(C1=CC=CC=C1)(C)CCl
UNII	OF6E0410NF
Synonyms	Neophyl chloride, 515-40-2, 1-Chloro-2-methyl-2-phenylpropane, (1-chloro-2-methylpropan-2-yl)benzene, (2-Chloro-1,1-dimethylethyl)benzene, Benzene, (2-chloro-1,1-dimethylethyl)-, 2-Methyl-2-phenylpropyl chloride, neophylchloride, 2-Chloromethyl-2-phenylpropane, UNII-OF6E0410NF, NSC 54159, beta-Chloro-tert-butylbenzene, OF6E0410NF, .beta.-Chloro-tert-butylbenzene, DNXXUUPUQXSUFH-UHFFFAOYSA-N, (.beta.-Chloro-tert-butyl)benzene, (2-chloro-1,1-dimethyl-ethyl)benzene, .beta.,.beta.-Dimethylphenethyl chloride, (.beta.-Chloro-.alpha.,.alpha.-dimethyl)ethylbenzene, 1-Chloro-2-methyl-2-phenylpropane, 98%, (beta-Chloro-tert-butyl)benzene, beta,beta-Dimethylphenethyl chloride, EINECS 208-197-7, MFCD00000940, ACMC-209kuc, AC1Q1NKR, AC1Q3TST, DSSTox_CID_7167, (beta-Chloro-alpha,alpha-dimethyl)ethylbenzene, (Chloro-tert-butyl)benzene, DSSTox_RID_78331, DSSTox_GSID_27167, (2-chloro-tert-butyl)benzene, KSC491M2F, AC1L298D, NSC923, SCHEMBL1502452, CHEMBL3185006, DTXSID8027167, CTK3J1622, DNXXUUPUQXSUFH-UHFFFAOYSA-, KS-00000WHN, NSC-923, NSC54159, ZINC1587706, Tox21_200949, 1-chloro-2-methyl-2-phenyl-propane, ANW-31282, NSC-54159, 2-Chloromethyl-2-phenylpropane, 99%, AKOS009157078, MCULE-5897242597, NE10065, RTX-011549, TRA0069828, (2-chloro-1,1-dimethyl-ethyl)-benzene, NCGC00248883-01, NCGC00258502-01, AN-45475, AS-11669, CAS-515-40-2, CJ-25352, SC-50834, (1-chloranyl-2-methyl-propan-2-yl)benzene, DB-051982, FT-0608752, FT-0660427, ST50826954, A828650, S01-0449, W-109547, InChI=1/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3, C10H13Cl, Benzene,1-dimethylethyl)-, C10-H13-Cl, CID68191, c1068, 1-Chloro-2-methyl-2-phenylpropane, 99% - 100G 100g,

Complexity	112
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	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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