2-Fluorbenzoylchlorid

2-Fluorobenzoyl chloride

HCID 9808CAS 393-52-2

Grundinformationen

Standard-SMILES
O=C(Cl)c1ccccc1F
InChIKey
RAAGZOYMEQDCTD-UHFFFAOYSA-N
Summenformel
C7H4ClFO
Durchschnittliche Molmasse
158,56 g/mol
Monoisotopische Masse
157,99347065

Überblick

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

Namen und Bezeichner

Bevorzugter Name
2-Fluorobenzoyl chloride
IUPAC
2-fluorobenzoyl chloride
Lokaler Name
2-Fluorbenzoylchlorid
Englischer Name
2-Fluorobenzoyl chloride
Summenformel
C7H4ClFO
Molmasse
158.56

Namen und Synonyme

2-FLUOROBENZOYL CHLORIDEo-Fluorobenzoyl chlorideBenzoyl chloride, 2-fluoro-Benzoyl chloride, o-fluoro-CCRIS 5914DTXSID3025330HSDB 4261EINECS 206-887-2NSC 88304UNII-Z4H017N76SBRN 0636864Z4H017N76S
Weitere Namen anzeigen
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]

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

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

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 Einträge

180 °F (NTP, 1992)

180 °F

Physikochemische Eigenschaften

Schmelzpunkt
4 °C · 4 °C (lit.)
Siedepunkt
90 · 90-92 °C/15 mmHg (lit.)
Dichte
1.328 g/mL · 1.328 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.536(lit.)
Flammpunkt
180 °F · 180 °F
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 Eintrag

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

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

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 Eintrag

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 Eintrag

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 Eintrag

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.

Toxikologische Informationen

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

Sicherheitsdaten

F
10-19-21
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29163900
RTECS-Nr.
DM6640000

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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

Chem intermediate for flunitrazepam, a hypnotic drug

U.S. Exports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Imports · 2 Einträge

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

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

U.S. Production · 2 Einträge

(1977) No Data

(1979) No Data

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

Anwendungen

Verwenden2-Fluorobenzoyl Chloride (cas# 393-52-2) is a compound useful in organic synthesis.

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