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Molecule
ID:7467
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₇H₃Cl₂FO
Molecular Mass
193.0025232
Exact Mass
191.9544983
Charge
0
InChI
InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
InChIKey
POIAZJJVWRVLBO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1C(=O)Cl)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.910905
LogD (pH = 7.4)
2.910905
Log P
2.910905
Molar Refractivity
42.1939
Polarizability
15.828276
Polar Surface Area
17.07
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
Properties
•
Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC1863T
Matrix Scientific
002510
Sigma Aldrich
703958
Chemik
CHB50000
Alfa Aesar
B23439
Academic Data
PubChem
2736546
Names and Identifiers
IUPAC name
2-chloro-4-fluorobenzoyl chloride
Synonyms
2-Chloro-4-fluorobenzoyl chloride
2-Chloro-4-fluorobenzoyl chloride 98%
2-氯-4-氟苯甲酰氯
2-Chloro-4-fluorobenzoyl chloride
IUPAC Traditional name
2-chloro-4-fluorobenzoyl chloride
Registration numbers
CAS Number
21900-54-9
MDL Number
MFCD00084954
Beilstein Number
2254071
PubChem SID
160970774
PubChem CID
2736546
Molecule Details
Sigma Aldrich
703958
Packaging
5, 25 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
PubChem SID
•
PubChem CID
Properties
Product Information
Purity
98%
Source
97%
Source
Empirical Formula (Hill Notation)
C7H3Cl2FO
Source
Safety Information
Storage Warning
CORROSIVE
Source
Corrosive
Source
Moisture Sensitive
Source
MSDS Link
Download link
Source
Download link
Source
TSCA Listed
false
Source
否
Source
European Hazard Symbols
Corrosive (C)
Source
RID/ADR
UN 3265 8/PG 2
Source
Hazard Class
8
Source
GHS Hazard statements
H302
-
H314
Source
H314
-
H318
Source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Safety Statements
26
-
36/37/39
-
45
Source
German water hazard class
3
Source
Risk Statements
22
-
34
Source
34
Source
UN Number
3265
Source
UN3265
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
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
Packing Group
2
Source
II
Source
GHS Signal Word
Danger
Source
GHS Precautionary statements
P280
-
P305+P351+P338
-
P310
Source
P260
-
P303+P361+P353
-
P305+P351+P338
-
P301+P330+P331
-
P405
-P501A
Source
Physical Property
Boiling Point
82-84°C/15mm
Source
82-84°C/15mm
Source
Refractive Index
1.545
Source
n20/D 1.551
Source
1.5510
Source
Density
1.447 g/mL at 25 °C
Source
Flash Point
107 °C
Source
224.6 °F
Source
Source
Corrosive (C)
