2,2-Dichloroethanol - CAS 598-38-9

Name: 2,2-Dichloroethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030519
Product Name:	2,2-Dichloroethanol
CAS:	598-38-9
Synonyms:	2,2-dichloroethanol

Technical Data

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Computed Properties

IUPAC Name:	2,2-dichloroethanol
Description:	2,2-Dichloroethanol (CAS# 598-38-9) is a reagent in the preparation of tunable molecular catalysts via functionalizing methylene bridge of bis(N-heterocyclic carbene) ligands.
Molecular Weight:	114.96
Molecular Formula:	C2H4Cl2O
Canonical SMILES:	C(C(Cl)Cl)O
InChI:	InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
InChI Key:	IDJOCJAIQSKSOP-UHFFFAOYSA-N
Boiling Point:	146 °C at 760 mmHg
Flash Point:	173 °F
Density:	1.404 g/cm³
Solubility:	greater than or equal to 100 mg/mL at 73 °F
Appearance:	Clear pale yellow liquid.
MDL:	MFCD00004700
LogP:	0.78240

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Related Functional Groups

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol
[24550-39-8]C14H11ClO2
3-[(4-Chlorobenzyl)oxy]benzaldehyde

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-214155311-U	Agro-planting vernalization device	20201127
CN-213528094-U	Absorption device for 2-chloroethanol production tail gas	20200906
CN-212753151-U	Be used for agricultural seed vernalization processing apparatus	20200605
CN-212854930-U	Many gradients active carbon sintering filter core	20200521
CN-111302955-A	Synthesis method of aminophenol	20200408

PMID	Publication Date	Title	Journal
22712801	20121201	Inhibition of pro-inflammatory cytokines and inducible nitric oxide by extract of Emilia sonchifolia L. aerial parts	Immunopharmacology and immunotoxicology
22960551	20121031	An antimicrobial evaluation of plants used for the treatment of respiratory infections in rural Maputaland, KwaZulu-Natal, South Africa	Journal of ethnopharmacology
22963538	20120910	Screening of selected ethnomedicinal plants from South Africa for larvicidal activity against the mosquito Anopheles arabiensis	Malaria journal
22368064	20120415	Iberian ham typification by direct infusion electrospray and photospray ionization mass spectrometry fingerprinting	Rapid communications in mass spectrometry : RCM
22369892	20120415	Analysis of sphingolipids in extracted human plasma using liquid chromatography electrospray ionization tandem mass spectrometry	Analytical biochemistry

Complexity:	21.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.9639201
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.9639201
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4