2-Fluorobenzoyl chloride

HCID 9808CAS 393-52-2

Basic information

Standard SMILES
O=C(Cl)c1ccccc1F
InChIKey
RAAGZOYMEQDCTD-UHFFFAOYSA-N
Molecular formula
C7H4ClFO
Average molar mass
158.56 g/mol
Monoisotopic mass
157.99347065

Overview

2-fluorobenzoyl chloride is a colorless liquid. (NTP, 1992)

Names & identifiers

Preferred name
2-Fluorobenzoyl chloride
IUPAC
2-fluorobenzoyl chloride
English name
2-Fluorobenzoyl chloride
Molecular formula
C7H4ClFO
Molecular weight
158.56

Names & synonyms

2-FLUOROBENZOYL CHLORIDEo-Fluorobenzoyl chlorideBenzoyl chloride, 2-fluoro-Benzoyl chloride, o-fluoro-CCRIS 5914DTXSID3025330HSDB 4261EINECS 206-887-2NSC 88304UNII-Z4H017N76SBRN 0636864Z4H017N76S
Show more names
SKL751uorobenzoyL2-Fluorobenzoylo-FluorobenzoylAKOS BBS-00003920Ataluren impurity D2-Fluorobenzoyl chlo2-Fluorbenzoylchlorid
NSC-88304ortho-Fluorobenzoyl chlorideDTXCID005330RAAGZOYMEQDCTD-UHFFFAOYSA-EC 206-887-24-09-00-00951 (Beilstein Handbook Reference)2-FLUOROBENZENECARBONYL CHLORIDE2-FLUOROBENZOYL CHLORIDE [HSDB]

Database identifiers

CAS
393-52-2
PubChem CID
9808
DTXSID
DTXSID3025330
ChEMBL
CHEMBL1606202
UNII
Z4H017N76S
EC Number
206-887-2
Nikkaji
J44B

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2 items

1.304 at 68 °F (NTP, 1992) - Denser than water; will sink

1.328 g/cu cm at 25 °C

Color/FormLiquid
SolubilityDecomposes (NTP, 1992)
Flash Point · 2 items

180 °F (NTP, 1992)

180 °F

Physicochemical properties

Melting point
4 °C · 4 °C (lit.)
Boiling point
90 · 90-92 °C/15 mmHg (lit.)
Density
1.328 g/mL · 1.328 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.536(lit.)
Flash point
180 °F · 180 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (66.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 23-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26418

2-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include strong irritation of the skin, eyes and mucous membranes, lachrymation and corrosion of tissues.
Hazards Summary · 1 item

A strong skin, eye, and mucous membrane irritant; A corrosive substance that causes lacrimation; [CAMEO] Corrosive; Causes burns; Reacts violently with water; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]

Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates

Safety & protection

Fire Fighting · 1 item

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 item

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Non-Human Toxicity Excerpts/GENOTOXICITY/ Negative in the Ames salmonella assay using strains TA 98, TA 100, TA 1535, TA 1537 at 10-666 ug/plate with rat, liver, S-9, aroclor 1254.
Non-Human Toxicity ValuesLD50 Mouse iv 100 mg/kg

Safety data

F
10-19-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
DM6640000
ridadr
UN 3265 8/PG 2

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to make flunitrazepam, a hypnotic drug; [HSDB]

Chem intermediate for flunitrazepam, a hypnotic drug

U.S. Exports · 2 items

(1977) No Data

(1979) No Data

U.S. Imports · 2 items

(1977) 4.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1978) 5.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2 items

(1977) No Data

(1979) No Data

Consumption PatternsEssentially 100% as a chemical intermediate
Methods of ManufacturingReaction of 2-fluorobenzoic acid with thionyl chloride
Applications · 3 items

Uses2-Fluorobenzoyl Chloride (cas# 393-52-2) is a compound useful in organic synthesis.

Uses2-Fluorobenzoyl chloride has been used in the preparation of 3-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester. It has been used to develop an hollow-fiber liquid phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.

General DescriptionColorless liquid.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

Related reactions

457 records

Linked notes

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