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393-52-2 molecular structure
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393-52-2 molecular structure
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2-fluorobenzoyl chloride

ChemBase ID: 96936
Molecular Formular: C7H4ClFO
Molecular Mass: 158.5574632
Monoisotopic Mass: 157.99347065
SMILES and InChIs

SMILES:
 Fc1c(cccc1)C(=O)Cl
Canonical SMILES:
 ClC(=O)c1ccccc1F
InChI:
 InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKey:
 RAAGZOYMEQDCTD-UHFFFAOYSA-N

Cite this record

CBID:96936 http://www.chembase.cn/molecule-96936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluorobenzoyl chloride
IUPAC Traditional name
benzoyl chloride, 2-fluoro-
Synonyms
2-Fluoro-benzoyl Chloride
2-Fluorobenzenecarbonyl Chloride
o-Fluorobenzoyl Chloride
NSC 88304
2-fluorobenzoyl chloride
2-Fluorobenzoyl chloride
2-Fluorobenzoyl chloride 99%
o-FLUOROBENZOYL CHLORIDE
2-氟苯甲酰氯
邻氟苯甲酰氯
CAS Number
393-52-2
EC Number
206-887-2
MDL Number
MFCD00000656
Beilstein Number
636864
PubChem SID
24847433
24870407
162083580
PubChem CID
9808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 120847 external link Add to cart 46740 external link Add to cart
MP Biomedicals 02158091 external link Add to cart
Alfa Aesar A16096 external link Add to cart
TRC F588575 external link Add to cart
Apollo Scientific PC3610 external link Add to cart
InterBioScreen BB_SC-6990 external link Add to cart
PubChem 9808 external link
Chemik CHB52003 external link Add to cart
A&J Pharmtech AJA-O2643 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
120847 external link Add to cart Please log in.
46740 external link Add to cart Please log in.
MP Biomedicals
02158091 external link Add to cart Please log in.
Alfa Aesar
A16096 external link Add to cart Please log in.
TRC
F588575 external link Add to cart Please log in.
Apollo Scientific
PC3610 external link Add to cart Please log in.
InterBioScreen
BB_SC-6990 external link Add to cart Please log in.
Chemik
CHB52003 external link Add to cart Please log in.
A&J Pharmtech
AJA-O2643 external link Add to cart Please log in.
Data Source Data ID
PubChem 9808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 1  H Donor 0 
LogD (pH = 5.5) 2.3068602  LogD (pH = 7.4) 2.3068602 
Log P 2.3068602  Molar Refractivity 37.3891 cm3
Polarizability 13.83782 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds 1  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Clear Colourless Oil expand Show data source
Melting Point
4 °C(lit.) expand Show data source
4-6°C expand Show data source
4-6°C expand Show data source
Boiling Point
207°C expand Show data source
90-92 °C/15 mmHg(lit.) expand Show data source
90-92°C/15mm expand Show data source
Flash Point
122 °C expand Show data source
251.6 °F expand Show data source
82°C expand Show data source
82°C(179°F) expand Show data source
Density
1.328 expand Show data source
1.328 g/mL at 25 °C(lit.) expand Show data source
1.331 expand Show data source
1.34 g/ml expand Show data source
Refractive Index
1.5365 expand Show data source
n20/D 1.536 expand Show data source
n20/D 1.536(lit.) expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
RTECS
DM6640000 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
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
II expand Show data source
Risk Statements
34 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
是 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
≥98.0% (GC) expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
FC6H4COCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158091 external link
1 ml = approx. 1.34 g
Sigma Aldrich - 120847 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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