AG0052PH

813-99-0 | Pentaerythritol trichlorohydrin

AG0052PH

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CAS Number	813-99-0
Catalog Number	AG0052PH(AGN-PC-0JMI19)
Chemical Name	Pentaerythritol trichlorohydrin
IUPAC Name	3-chloro-2,2-bis(chloromethyl)propan-1-ol
InChI	InChI=1S/C5H9Cl3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChI Key	VRWHPVMGJTYPLS-UHFFFAOYSA-N
MDL Number	MFCD00087386
Molecular Formula	C5H9Cl3O
Molecular Weight	191.4834
SMILES	OCC(CCl)(CCl)CCl
Synonyms	3-chloro-2,2-bis(chloromethyl)propan-1-ol, 813-99-0, Pentaerythritol trichlorohydrin, 3-chloro-2,2-bis(chloromethyl)-1-Propanol, AK170376, NSC524090, C5H9Cl3O, AC1L86MJ, SCHEMBL7041016, CTK8A1625, ZINC1598697, 0075AF, FCH839328, MFCD00087386, NSC405661, AKOS006272692, DS-7575, MCULE-4275446964, NSC-405661, NSC-524090, RP08529, SB11396, KS-000004D8, 2,2,2-TRIS-(CHLOROMETHYL)-ETHANOL, 3-CHLORO-2,2-DICHLOROMETHYLPROPANOL, 2,2-Bis(chloromethyl)-3-chloro-1-propanol, CS-0051417, FT-0686107, 3-Chloro-2,2-bis(chloromethyl);propan-1-ol, C-55607, J-512175, CID347153,

Complexity	64.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.972g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.476g/mol
Monoisotopic Mass	189.972g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number