AG003FAL

598-38-9 | 2,2-Dichloroethanol

AG003FAL

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CAS Number	598-38-9
Catalog Number	AG003FAL(AGN-PC-0JKA6J)
Chemical Name	2,2-Dichloroethanol
EC Number	209-931-9
IUPAC Name	2,2-dichloroethanol
InChI	InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
InChI Key	IDJOCJAIQSKSOP-UHFFFAOYSA-N
MDL Number	MFCD00004700
Molecular Formula	C2H4Cl2O
Molecular Weight	114.9586
NSC Number	60513
SMILES	C(CO)(Cl)Cl
UN Number	2810
UNII	RU6JX11G7W
Synonyms	2,2-dichloroethanol, 2,2-DICHLOROETHANOL, Dichloroethanol, 598-38-9, Ethanol, 2,2-dichloro-, UNII-RU6JX11G7W, 2,2-Dichloro-ethanol, EINECS 209-931-9, NSC 60513, BRN 1731633, RU6JX11G7W, IDJOCJAIQSKSOP-UHFFFAOYSA-N, ACMC-20aojy, AC1Q7BLO, SCHEMBL949, 2,2-bis(chloranyl)ethanol, AC1L1XZ3, 2,2-Dichloroethanol, 99%, CHEMBL113957, DTXSID4024989, CTK1H3967, NSC60513, ZINC4742916, NSC-60513, AKOS005266811, LS-1425, TC-171493, FT-0609214, X3582, A832495, InChI=1/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H, S14-1098, Ethanol,2-dichloro-, Ethanol,2,2-dichloro-, C2H4Cl2O, C2-H4-Cl2-O, CID11718, NA2810, UN2810, 4-01-00-01383 (Beilstein Handbook Reference),

Complexity	21.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.964g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.953g/mol
Monoisotopic Mass	113.964g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332-H351
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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