AG00ILNR

57-15-8 | 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

AG00ILNR

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CAS Number	57-15-8
Catalog Number	AG00ILNR(AGN-PC-0WA40L)
Chemical Name	1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
IUPAC Name	1,1,1-trichloro-2-methylpropan-2-ol
InChI	InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
InChI Key	OSASVXMJTNOKOY-UHFFFAOYSA-N
MDL Number	MFCD00149293
Molecular Formula	C4H7Cl3O
Molecular Weight	177.4568
SMILES	ClC(C(C)(O)C)(Cl)Cl
UNII	HM4YQM8WRC
Synonyms	Acetonchloroform, Anhydrous Chlorobutanol, Chlorbutol, Chloretone, Chlorobutanol, Chlorobutanol, Anhydrous, Trichlorbutanol, Chlorobutanol, Chlorbutol, 57-15-8, 1,1,1-Trichloro-2-methyl-2-propanol, Chloreton, CHLORETONE, Acetonchloroform, Acetochlorone, Chlorbutanol, Acetone chloroform, Coliquifilm, Chlortran, Clortran, Dentalone, Khloreton, Methaform, Sedaform, 1,1,1-trichloro-2-methylpropan-2-ol, Anhydrous chlorobutanol, Trichlorisobutylalcohol, Trichloro-tert-butanol, Chlorobutanol, anhydrous, Chlorbutanolum, Chlorbutolum, 2-Propanol, 1,1,1-trichloro-2-methyl-, Trichloro-t-butyl alcohol, 2-(Trichloromethyl)-2-propanol, 1,1,1-Trichloro-tert-butyl alcohol, Caswell No. 185, Clorobutanolo [DCIT], Trichloro-2-methylpropan-2-ol, UNII-HM4YQM8WRC, tert-Trichlorobutyl alcohol, beta,beta,beta-Trichloro-tert-butyl alcohol, Clorobutanol [INN-Spanish], Trichloro-tert-butyl alcohol, NSC 44794, Chlorobutanolum [INN-Latin], Chlorobutanol hemihydrate, 2-(Trichloromethyl)propan-2-ol, 2-Propanol, 2-methyl-1,1,1-trichloro-, HSDB 2761, 2-Propanol, trichloro-2-methyl-, HM4YQM8WRC, EINECS 200-317-6, EPA Pesticide Chemical Code 017501, BRN 0878167, 1,1,1-trichloro-2-methyl-propan-2-ol, AI3-00048, 28471-22-9, OSASVXMJTNOKOY-UHFFFAOYSA-N, 2,2,2-Trichloro-1,1-dimethylethanol, 6001-64-5, NCGC00159392-02, NCGC00159392-05, chlorobutanol hydrate, Chlorobutanol, hydrous, DSSTox_CID_21217, DSSTox_RID_79651, WLN: QX1&1&XGGG, DSSTox_GSID_41217, .beta.,.beta.,.beta.-Trichloro-tert-butyl alcohol, Chlorobutanolum, Trichlorbutanol, 1,1-Trichloro-tert-butyl alcohol, Clorobutanol, Clorobutanolo, Trichlorobutanol, 1,1-Trichloro-2-methyl-2-propanol, 2-Propanol,1,1-trichloro-2-methyl-, CAS-57-15-8, .beta.,.beta.-Trichloro-tert-butyl alcohol, C4H7Cl3O, chloretol, chloretonl, chlortral, 1, 1, 1-trichloro-2-methyl-2-propanol hydrate, 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, Acetonechloroform, Chlorobutanol [USAN:INN:JAN], Chloretone (TN), Chlorobutanol [INN:BAN:JAN:NF], EINECS 249-042-3, Chloretone hemihydrate, t-Trichlorobutyl alcohol, AC1Q1NNR, AC1Q3GOR, AC1L1LJ9, SCHEMBL1040, Acetone chloroform hemihydrate, 4-01-00-01629 (Beilstein Handbook Reference), 2-Trichhloromethyl-2-propanol, 2-Propanol,trichloro-2-methyl-, CHEMBL1439973, Chlorobutanol (JP17/NF/INN), DTXSID1041217, CTK4G1557, 2-(trichloromethyl)-propan-2-ol, NSC4596, NSC5208, CHEBI:134813, MolPort-003-925-931, HMS3264C17, Pharmakon1600-01506102, CS-B1703, NSC-4596, NSC-5208, NSC44794, ZINC1482005, Tox21_111629, BDBM50417941, NSC-44794, NSC760101, SBB058738, AKOS003619059, Tox21_111629_1, 2-methyl-1,1,1-trichloro-2-propanol, CCG-213842, DB11386, MCULE-7565024869, NE21463, NSC-760101, NCGC00159392-03, NCGC00159392-04, AN-23577, CJ-23632, CS-15316, SC-73740, LS-122688, AK00061249, FT-0605936, FT-0612881, ST51037685, EN300-19331, D01942, 47768-EP2269977A2, 47768-EP2272817A1, 47768-EP2311811A1, AB01563200_01, 1,1,1-Trichloro-2-methylpropan-2-ol hemihydrate, SR-01000944257, I14-7607, SR-01000944257-1, W-105484, I14-19299, Z1259084902, InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H, chlorbutanol-, UNII-3X4P6271OX, C4-H7-Cl3-O, CID5977, AR-1I2031, ACN-037780, T0386, 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate, D002724, HCP, 2-Propanol, 1,1,1-trichloro-2-methyl-, hemihydrate, 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1), 1320-66-7, 5887-83-2,

Complexity	83.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.956g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.449g/mol
Monoisotopic Mass	175.956g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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