Chloral

CAT: 1299-RM-C081700-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C081700-02Size:25 mg

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CAS Number

302-17-0

Synonyms

2,2,2-trichloroethane-1,1-diol

Molecular Formula

C2H3Cl3O2

Molecular Weight

165.4

Target Alternative Name

Chloral

Product Name Synonym

2,2,2-trichloroethane-1,1-diol

Chemical Information

Chloral Hydrate

Chloral Hydrate can cause cancer according to California Labor Code.

CAS Number	302-17-0
PubChem CID	2707
IUPAC Name	2,2,2-trichloroethane-1,1-diol
Molecular Formula	C2H3Cl3O2
Molecular Weight	165.40
XLogP	1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

C(C(Cl)(Cl)Cl)(O)O

InChI

InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

RNFNDJAIBTYOQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 302-17-0

CID: 2707

Formula: C2H3Cl3O2

MW: 165.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.40
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.919862
Monoisotopic Mass	163.919862
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A261689-01	Dacthal; Chlorthal-Methyl
RG-C081271-01	1-Chloro-4- (Chloro (Phenyl) Methyl) Benzene
RM-S075408-01	Mono-Chloro-Sugammadex
RG-E141175-01	2-Chloro-α-hydroxybenzeneacetonitrile
RM-B795502-01	Chloro Bisphenol S
RG-C250300-01	2-Chloro Cyclobutanone
RM-H041201-01	Hydralazine Chloro Impurity
RM-S132011-01	Sumatriptan Chloro Impurity
RM-P201607-01	Pantoprazole Chloro Impurity
RM-F122084-01	Chloro Fluticasone Propionate

Catalog	Name
OR1004242-01	Chloral
07922-75	Chloral Hydrate
GE3211-100g	Chloral hydrate, 99%
DLSM0227	Chloral Microplate Assay Kit
G0343-01	Chloral Hydrate Transparent Solution
CAK1252	Chloral Colorimetric Microplate Assay Kit
166908-01	Trichloroacetaldehyde Hydrate (Chloral Hydrate) discontinued
269587-01	Chloral Hydrate discontinued. See 166908
G0550-01	Gum Arabic, Chloral Hydrate, Glycerol Mountant
G0342-01	Chloral Hydrate Solution (5%w/v)