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261762-82-7 molecular structure
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2-chloro-6-fluoro-3-methylbenzoyl chloride

ChemBase ID: 7652
Molecular Formular: C8H5Cl2FO
Molecular Mass: 207.0291032
Monoisotopic Mass: 205.97014836
SMILES and InChIs

SMILES:
c1cc(c(c(c1F)C(=O)Cl)Cl)C
Canonical SMILES:
ClC(=O)c1c(F)ccc(c1Cl)C
InChI:
InChI=1S/C8H5Cl2FO/c1-4-2-3-5(11)6(7(4)9)8(10)12/h2-3H,1H3
InChIKey:
XJFKTIHKOKWAEF-UHFFFAOYSA-N

Cite this record

CBID:7652 http://www.chembase.cn/molecule-7652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-fluoro-3-methylbenzoyl chloride
IUPAC Traditional name
2-chloro-6-fluoro-3-methylbenzoyl chloride
Synonyms
2-Chloro-6-fluoro-3-methylbenzoyl chloride
2-Chloro-6-fluoro-3-methylbenzoyl chloride
2-Chloro-6-fluoro-m-toluoyl chloride
2-氯-6-氟-3-甲基苯甲酰氯
CAS Number
261762-82-7
MDL Number
MFCD01631361
PubChem SID
160970959
PubChem CID
2773670

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773670 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4243264  LogD (pH = 7.4) 3.4243264 
Log P 3.4243264  Molar Refractivity 47.2351 cm3
Polarizability 17.566687 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.5260 expand Show data source
1.527 expand Show data source
Storage Warning
CORROSIVE expand Show data source
Corrosive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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