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Molecule
ID:109419
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₄Cl₂O
Molecular Mass
163.00136
Exact Mass
161.96392011
Charge
0
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
RANCECPPZPIPNO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)O)Cl
Isomeric Smiles
Oc1cc(Cl)ccc1Cl
Calculated Properties
JChem
Acid pKa
7.227825
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8697772
LogD (pH = 7.4)
2.4868975
Log P
2.87777
Molar Refractivity
37.6485
Polarizability
14.751507
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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JChem
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IUPAC name
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IUPAC Traditional name
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Synonyms
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
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MP Biomedicals
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
66
Commercial Catalog
Sigma Aldrich
D70007
36140
35835
442320
Alfa Aesar
B24787
MP Biomedicals
05210959
Names and Identifiers
IUPAC name
2,5-dichlorophenol
IUPAC Traditional name
2,5-dichlorophenol
Synonyms
2,5-DICHLOROPHENOL
2,5-二氯苯酚
2,5-Dichlorophenol
Registration numbers
CAS Number
583-78-8
PubChem SID
162094979
24894066
24867796
24862219
24861972
PubChem CID
66
MDL Number
MFCD00002174
Beilstein Number
1907692
EC Number
209-520-4
Molecule Details
Sigma Aldrich
D70007
Packaging
50, 250 g in glass bottle
35835
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
MP Biomedicals
05210959
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
PubChem SID
•
PubChem CID
•
MDL Number
•
Beilstein Number
•
EC Number
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Danger
Source
P280
-
P305+P351+P338
-
P310
Source
P280H-
P273
-
P305+P351+P338
-
P337+P313
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Nature polluting (N)
UN 2020 6.1/PG 3
Source
SK8600000
Source
3
Source
III
Source
H302
-
H314
Source
H302
-
H312
-
H315
-
H319
-
H335
-
H411
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H401
Source
26
-
36/37/39
-
45
-
61
Source
26
-
36/37
-
61
22
-
34
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51/53
Source
21/22
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36/37/38
-
51/53
Source
6.1
Source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Source
2020
Source
UN2020
Source
3
Source
2
Source
是
Source
Product Information
Download link
Source
98%
Source
≥98.0% (HPLC)
Source
Cl2C6H3OH
Source
purum
Source
PESTANAL®, analytical standard
Physical Property
211 °C(lit.)
Source
211°C
Source
54-57 °C(lit.)
Source
54-57 °C
Source
55-58°C
Source
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
Source
Corrosive (C)
Source
Harmful (X)
Source
Source
Source
analytical standard
Source
Packaging
ampule of 1000 mg
Source
GHS Signal Word
GHS Precautionary statements
GHS Pictograms
European Hazard Symbols
RID/ADR
RTECS
Packing Group
GHS Hazard statements
Safety Statements
Risk Statements
Hazard Class
Personal Protective Equipment
UN Number
German water hazard class
TSCA Listed
Certificate of Analysis
Purity
Linear Formula
Grade
Boiling Point
Melting Point