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BENZOYL FLUORIDE structure
BENZOYL FLUORIDE structure

BENZOYL FLUORIDE

Iupac Name:benzoyl fluoride
CAS No.:455-32-3
Molecular Weight:124.114
Modify Date.:2022-02-23
Introduction: Manufacturing of acyl and other fluorides. View more+
1. Names and Identifiers
1.1 Name
BENZOYL FLUORIDE
1.2 CAS No.
455-32-3
1.3 CID
67999
1.4 EINECS(EC#)
207-244-9
1.5 Molecular Formula
C7H5FO (isomer)
1.6 Inchi
InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
1.7 InChkey
HPMLGNIUXVXALD-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)C(=O)F
1.9 Isomers Smiles
C1=CC=C(C=C1)C(=O)F
2. Properties
3.1 Density
1.14 g/mL at 25 °C(lit.)
3.1 Melting point
?28 °C(lit.)
3.1 Boiling point
154.5 °C at 760 mmHg
3.1 Refractive index
n20/D 1.496(lit.)
3.1 Flash Point
54.3 °C
3.1 Vapour pressure
3.17mmHg at 25°C
3.1 Precise Quality
124.03200
3.1 PSA
17.07000
3.1 logP
1.79630
3.1 Appearance
yellow liquid
3.2 Storage
Moisture Sensitive. Store under Nitrogen. Ambient temperatures.
3.3 Chemical Properties
clear yellow to red-brown liquid
3.4 Water Solubility
Hydrolyses in water.
3. Use and Manufacturing
4.1 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 29 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
4.2 Usage
Manufacturing of acyl and other fluorides.
4. Safety and Handling
5.1 Hazard Codes
T; F; C
5.1 Risk Statements
10-34
5.1 Safety Statements
16-26-27-36/37/39-45
5.1 Packing Group
II
5.1 Hazard Class
8
5.1 RIDADR
UN 2920 8
5.1 WGK Germany
3
5.1 Safety
Hazard Codes:C,T,F
Risk Statements:10-34
10:Flammable
34:Causes burns
Safety Statements:16-26-27-36/37/39-45
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:Take off immediately all contaminated clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR:UN 2920 8/PG 2
WGK Germany:3
HazardClass:8
PackingGroup:II
Hazard Note:Highly Toxic/Lachrymator
5.2 Sensitive
Lachrymatory
5.3 Specification

clear yellow to red-brown liquid
Safety Statements:16-26-27-36/37/39-45
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:Take off immediately all contaminated clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
Benzoyl fluoride is used as a mild fluorinating agent.
10. Computational chemical data
  • Molecular Weight:124.114g/mol
  • Molecular Formula:C7H5FO
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:124.032442941
  • Monoisotopic Mass:124.032442941
  • Complexity:106
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
11. Recommended Suppliers
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  • Time: 2019/02/25
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