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Molecule
ID:7656
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₇H₆ClFO
Molecular Mass
160.5733432
Exact Mass
160.00912071
Charge
0
InChI
InChI=1S/C7H6ClFO/c1-4-2-3-5(9)7(10)6(4)8/h2-3,10H,1H3
InChIKey
RPTGCWUNGWVQET-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1O)Cl)C
Isomeric Smiles
c1cc(c(c(c1F)O)Cl)C
Calculated Properties
JChem
Acid pKa
7.1360197
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9200072
LogD (pH = 7.4)
2.4837923
Log P
2.9298484
Molar Refractivity
38.1013
Polarizability
14.339095
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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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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Quote
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC0118
Matrix Scientific
002761
Alfa Aesar
H26721
Academic Data
PubChem
2773683
Names and Identifiers
IUPAC Traditional name
2-chloro-6-fluoro-3-methylphenol
Synonyms
2-Chloro-6-fluoro-3-methylphenol
2-Chloro-6-fluoro-m-cresol
2-Chloro-4-fluoro-3-hydroxytoluene
2-氯-6-氟-3-甲基苯酚
2-Chloro-6-fluoro-3-methylphenol
IUPAC name
2-chloro-6-fluoro-3-methylphenol
Registration numbers
PubChem CID
2773683
PubChem SID
160970963
CAS Number
261762-90-7
MDL Number
MFCD01631366
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
否
Source
Storage Warning
IRRITANT, TOXIC
Source
Toxic
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
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
European Hazard Symbols
Nature polluting (N)
Source
Harmful (X)
Corrosive (C)
Risk Statements
22
-
34
-
51/53
Source
GHS Precautionary statements
P260
-
P303+P361+P353
-
P305+P351+P338
-
P301+P330+P331
-
P405
-P501A
Source
Safety Statements
26
-
36/37/39
-
45
-
61
Source
Packing Group
III
Source
GHS Hazard statements
H314
-
H318
-
H302
-
H411
-
H401
Source
Hazard Class
8
Source
UN Number
UN3261
Source
Physical Property
Refractive Index
1.5050
Source
Boiling Point
211°C
Source
Melting Point
47-50°C
Source
Product Information
Purity
97%
Source
Source
Source
Nature polluting (N)
Harmful (X)
Corrosive (C)