AG00E8VR

6001-64-5 | 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

AG00E8VR

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CAS Number	6001-64-5
Catalog Number	AG00E8VR(AGN-PC-0LPL4A)
Chemical Name	1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
EC Number	611-927-0
IUPAC Name	1,1,1-trichloro-2-methylpropan-2-ol;hydrate
InChI	InChI=1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
InChI Key	WRWLCXJYIMRJIN-UHFFFAOYSA-N
MDL Number	MFCD02179352
Molecular Formula	C8H16Cl6O3
Molecular Weight	372.9288
SMILES	[H]O[H].CC(O)(C)C(Cl)(Cl)Cl.CC(O)(C)C(Cl)(Cl)Cl
UNII	3X4P6271OX
Synonyms	6001-64-5, UNII-3X4P6271OX, Chlorobutanol hemihydrate, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 3X4P6271OX, beta, beta, beta-Trichloro-t-butanol, 1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1), 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1), bis(1,1,1-trichloro-2-methylpropan-2-ol) hydrate, 1,1,1-trichloro-2-methylpropan-2-ol;hydrate, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%, PubChem17292, AC1NR4KY, bis(chlorobutanol) hydrate, Acetonchloroform hemihydrate, SCHEMBL466638, DTXSID9022235, MFCD02179352, AKOS016015222, API0001959, LS-184995, 1,1,1-trichloro-2-methylpropan-2-ol hydrate, 1,1,1-Trichloro-2-methyl-2-propanol (hydrate) (2:1), Chlorobutanol, United States Pharmacopeia (USP) Reference Standard, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, PESTANAL(R), analytical standard, Chlorobutanol, Pharmaceutical Secondary Standard; Certified Reference Material, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, meets analytical specification of Ph.??Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.), Chlorobutanol, Chlorbutol, Chloreton, Chlortran, CHLORETONE, CID5284505, 1,1,1-Trichloro-2-methyl-2-propanol, 1,1,1-Trichloro-2-methyl-propanol hydrat, 57-15-8, 2-Propanol, 1,1,1-trichloro-2-methyl-, hemihydrate, 1,1,1-TRICHLORO-2-METHYL-2-PROPANOLHEMIHYDRATE, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98% 25g, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98% - 100G 100g,

Complexity	83.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.92g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	372.913g/mol
Monoisotopic Mass	369.923g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H302
Packing Group
Precautionary statements	P264-P270-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P301+P312a-P330-P501a-P301+P312+P330
UN Code

Certificate of Analysis

Lot Number