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Molecule
ID:7845
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆Cl₃F₃
Molecular Mass
235.4184096
Exact Mass
233.9017677
Charge
0
InChI
InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
QPXZZPSKCVNHFW-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)c(F)c(c(c1Cl)F)Cl
Isomeric Smiles
c1(Cl)c(F)c(Cl)c(c(c1F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2134857
LogD (pH = 7.4)
4.2134857
Log P
4.2134857
Molar Refractivity
41.1216
Polarizability
15.803552
Polar Surface Area
0.0
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
No Data Available
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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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Synonyms
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IUPAC name
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IUPAC Traditional name
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
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Sigma Aldrich
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC7050
Matrix Scientific
003083
Sigma Aldrich
282324
Alfa Aesar
A16864
Academic Data
PubChem
67573
Names and Identifiers
Synonyms
1,3,5-Trichloro-2,4,6-trifluorobenzene
1,3,5-Trichloro-2,4,6-trifluorobenzene 98%
1,3,5-Trichloro-2,4,6-trifluorobenzene
1,3,5-三氯-2,4,6-三氟化苯
1,3,5-三氯-2,4,6-三氟苯
IUPAC name
1,3,5-trichloro-2,4,6-trifluorobenzene
IUPAC Traditional name
1,3,5-trichloro-2,4,6-trifluorobenzene
Registration numbers
PubChem SID
160971152
24857039
PubChem CID
67573
MDL Number
MFCD00000587
CAS Number
319-88-0
EC Number
206-273-4
Beilstein Number
958307
Properties
Physical Property
Boiling Point
79.5°C/12mm
Source
80°C/12mm
Source
79.5 °C/12 mmHg(lit.)
Source
79-80°C/12mm
Source
Melting Point
62-64°C
Source
62-63°C
Source
62-64 °C(lit.)
Source
62-64°C
Source
Flash Point
102°C
Source
215.6 °F
Source
102 °C
Source
102°C(215°F)
Source
Safety Information
TSCA Listed
false
Source
否
Source
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
RTECS
DC2450000
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Risk Statements
36/37/38
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Safety Statements
26
-
36
Source
26
-
37
Source
GHS Pictograms
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
Irritant (Xi)
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
Product Information
Purity
98%
Source
Empirical Formula (Hill Notation)
C6Cl3F3
Source
Molecule Details
Sigma Aldrich
282324
Packaging
10 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem SID
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PubChem CID
•
MDL Number
•
CAS Number
•
EC Number
•
Beilstein Number
Irritant (Xi)