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D70600

Sigma-Aldrich

3,5-Dichlorophenol

97%

Synonym(s):

3,5-Dichlorophenol

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About This Item

Linear Formula:
Cl2C6H3OH
CAS Number:
591-35-5
Molecular Weight:
163.00
Beilstein:
1906458
EC Number:
209-714-9
MDL number:
MFCD00002259
UNSPSC Code:
12352100
PubChem Substance ID:
24894077
NACRES:
NA.22

Quality Level

100

Assay

97%

form

crystals

bp

233 °C (lit.)

mp

65-68 °C (lit.)

SMILES string

Oc1cc(Cl)cc(Cl)c1

InChI

1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChI key

VPOMSPZBQMDLTM-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Statements

H302,H311,H314,H411

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Skin Corr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Shu-Ling Lin et al.
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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

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