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Merck
CN

D6023

2,4-Dichlorophenol

melt

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About This Item

Linear Formula:
Cl2C6H3OH
CAS Number:
120-83-2
Molecular Weight:
163.00
EC Number:
204-429-6
UNSPSC Code:
12352100
MDL number:
MFCD00002169
Beilstein/REAXYS Number:
742467

Key Documents

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form

melt

bp

209-210 °C (lit.)

mp

42-43 °C (lit.)

SMILES string

Oc1ccc(Cl)cc1Cl

InChI

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

InChI key

HFZWRUODUSTPEG-UHFFFAOYSA-N

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Physical form

Packaged as a melt

signalword

Danger

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

flash_point_f

231.1 °F - closed cup

flash_point_c

110.6 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
125H3464
122K3728
067F3522
058H3414
055H3439

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Masaaki Fujikawa et al.
Bioorganic & medicinal chemistry, 15(11), 3756-3767 (2007-04-10)
We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of structurally diverse compounds with simple physicochemical parameters, hydrophobicity at a particular pH (logP(oct) and |pK(a)-pH|), hydrogen-accepting ability (SA(HA))

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