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Molecule
ID:9002
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₇H₂Cl₃FO
Molecular Mass
227.4475832
Exact Mass
225.91552594
Charge
0
InChI
InChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H
InChIKey
RPZXUSJCSDQNTE-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
C(=O)(Cl)c1c(Cl)cc(c(c1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5149496
LogD (pH = 7.4)
3.5149496
Log P
3.5149496
Molar Refractivity
46.9987
Polarizability
17.841057
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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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC Traditional name
•
IUPAC name
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Synonyms
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC3408
Matrix Scientific
005111
Sigma Aldrich
346101
Chemik
CHB51900
Alfa Aesar
B23514
Academic Data
PubChem
2736821
Names and Identifiers
IUPAC Traditional name
2,4-dichloro-5-fluorobenzoyl chloride
IUPAC name
2,4-dichloro-5-fluorobenzoyl chloride
Synonyms
2,4-Dichloro-5-fluorobenzoyl chloride
2,4-Dichloro-5-fluorobenzoyl chloride 98%
2,4-二氯-5-氟苯甲酰氯
2,4-Dichloro-5-fluorobenzoyl chloride
2,4-二氯-5-氟苯酰氯
Registration numbers
CAS Number
86393-34-2
MDL Number
MFCD00075341
PubChem SID
24861372
160972309
PubChem CID
2736821
Beilstein Number
4989077
EC Number
428-390-1
Molecule Details
Sigma Aldrich
346101
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
PubChem SID
•
PubChem CID
•
Beilstein Number
•
EC Number
Properties
Physical Property
Boiling Point
143-144°C/35mm
Source
143-144 °C/35 mmHg(lit.)
Source
143-144°C/35mm
Source
Refractive Index
1.5720
Source
1.572
Source
n20/D 1.572(lit.)
Source
1.5730
Source
1.568
Source
1.568 g/mL at 25 °C(lit.)
Source
113 °C
Source
235.4 °F
Source
>110°C(230°F)
Source
Safety Information
Download link
Source
Download link
Source
false
Source
否
Source
MOISTURE SENSITIVE, CORROSIVE
Source
Corrosive
Product Information
Cl2C6H2(F)COCl
Source
96%
Source
97%
Source
Source
Moisture Sensitive
Source
Risk Statements
34
-
36/37
Source
37/38
-
41
-
43
-
52/53
Source
Safety Statements
26
-
27
-
28
-
36/37/39
-
45
Source
24
-
26
-
37/39
-
61
Source
German water hazard class
1
Source
UN Number
3265
Source
UN3265
Source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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
European Hazard Symbols
Corrosive (C)
Source
Irritant (Xi)
GHS Signal Word
Danger
Source
RID/ADR
UN 3265 8/PG 2
Source
Hazard Class
8
Source
GHS Precautionary statements
P261
-
P273
-
P280
-
P305+P351+P338
Source
P280
-
P262
-
P273
-
P303+P361+P353
-
P305+P351+P338
-
P310
Source
GHS Hazard statements
H315
-
H317
-
H318
-
H335
-
H412
Source
H314
-
H318
-
H317
-
H335
-
H402
-
H412
Source
Packing Group
2
Source
II
Source
Density
Flash Point
MSDS Link
TSCA Listed
Storage Warning
Linear Formula
Purity
Source
Source
Corrosive (C)
Irritant (Xi)