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157373-08-5 molecular structure
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2,3,4-trifluorobenzoyl chloride

ChemBase ID: 8189
Molecular Formular: C7H2ClF3O
Molecular Mass: 194.5383896
Monoisotopic Mass: 193.97462702
SMILES and InChIs

SMILES:
c1c(c(c(c(c1)C(=O)Cl)F)F)F
Canonical SMILES:
ClC(=O)c1ccc(c(c1F)F)F
InChI:
InChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H
InChIKey:
NXRQXCFBZGIRGN-UHFFFAOYSA-N

Cite this record

CBID:8189 http://www.chembase.cn/molecule-8189.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4-trifluorobenzoyl chloride
IUPAC Traditional name
2,3,4-trifluorobenzoyl chloride
Synonyms
2,3,4-Trifluorobenzoyl chloride 98%
2,3,4-Trifluorobenzoyl chloride
2,3,4-Trifluorobenzoyl chloride
2,3,4-三氟苯甲酰氯
CAS Number
157373-08-5
EC Number
000-000-0
MDL Number
MFCD00075078
Beilstein Number
9122972
PubChem SID
160971496
24860383
PubChem CID
2734022

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5922642  LogD (pH = 7.4) 2.5922642 
Log P 2.5922642  Molar Refractivity 37.8219 cm3
Polarizability 13.598398 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)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
Pale Yellow Oil expand Show data source
Boiling Point
143-144 °C/130 mmHg(lit.) expand Show data source
143-144°C/130mm expand Show data source
143-144°C/130mm expand Show data source
Flash Point
199.4 °F expand Show data source
92°C expand Show data source
92°C(197°F) expand Show data source
93 °C expand Show data source
Density
1.522 expand Show data source
1.522 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.497 expand Show data source
1.4970 expand Show data source
n20/D 1.497(lit.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
CORROSIVE expand Show data source
Corrosive/Lachrymatory expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
34-36/37 expand Show data source
Safety Statements
23-26-27-36/37/39-45 expand Show data source
23-26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H318-H227 expand Show data source
H314-H335 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
F3C6H2COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 336475 external link
Packaging
1 g in glass bottle
Toronto Research Chemicals - T790075 external link
Reagent used in the preparation of Levofloxacin.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sidique, S., et al.: Bioorg. Med. Chem. Lett., 19, 5773 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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