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403-43-0 molecular structure
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4-fluorobenzoyl chloride

ChemBase ID: 7976
Molecular Formular: C7H4ClFO
Molecular Mass: 158.5574632
Monoisotopic Mass: 157.99347065
SMILES and InChIs

SMILES:
c1c(ccc(c1)C(=O)Cl)F
Canonical SMILES:
ClC(=O)c1ccc(cc1)F
InChI:
InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey:
CZKLEJHVLCMVQR-UHFFFAOYSA-N

Cite this record

CBID:7976 http://www.chembase.cn/molecule-7976.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluorobenzoyl chloride
IUPAC Traditional name
benzoyl chloride, 4-fluoro-
Synonyms
4-Fluorobenzoyl chloride
4-Fluorobenzoyl chloride 98%
4-Fluorobenzoyl chloride
对氟苯甲酰氯
4-氟苯甲酰氯
CAS Number
403-43-0
EC Number
206-961-4
MDL Number
MFCD00000684
Beilstein Number
386215
PubChem SID
24870423
24847304
160971283
PubChem CID
67879

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3068602  LogD (pH = 7.4) 2.3068602 
Log P 2.3068602  Molar Refractivity 37.3891 cm3
Polarizability 13.834968 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)
Melting Point
10-12 °C(lit.) expand Show data source
10-12°C expand Show data source
10-12°C expand Show data source
9°C expand Show data source
Boiling Point
193°C expand Show data source
82 °C/20 mmHg(lit.) expand Show data source
82°C/20mm expand Show data source
Flash Point
179.6 °F expand Show data source
82 °C expand Show data source
82°C expand Show data source
82°C(179°F) expand Show data source
Density
1.326 expand Show data source
1.342 expand Show data source
1.342 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5309 expand Show data source
1.531 expand Show data source
1.5320 expand Show data source
n20/D 1.532 expand Show data source
n20/D 1.532(lit.) expand Show data source
Storage Warning
Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon expand Show data source
LACHRYMATOR, CORROSIVE 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
UN3094 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
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
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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
≥97.0% (HPLC) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
FC6H4COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 119946 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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