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Fluorbenzol

Fluorobenzene

HCID 10008
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Grundinformationen

CAS
462-06-6
Standard-SMILES
Fc1ccccc1
InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-N
Summenformel
C6H5F
Durchschnittliche Molmasse
96,1 g/mol
Monoisotopische Masse
96,03752832

Überblick

Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5 °F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.

Namen und Bezeichner

Bevorzugter Name
Fluorobenzene
IUPAC
fluorobenzene
Lokaler Name
Fluorbenzol
Englischer Name
Fluorobenzene
Summenformel
C6H5F
Molmasse
96.1

Namen und Synonyme

FLUOROBENZENE462-06-6Phenyl fluorideMonofluorobenzeneBenzene, fluoro-FluorbenzolDTXSID4025329benzene fluorideEINECS 207-321-7NSC 68416G3TSZ68K12AI3-28560
Weitere Namen anzeigen
PhenylfluorideFluorine benzenefluoro-benzen48943uorobenzeneFluorobenzenesbenzene,fluoro-
NSC-68416FLUOROBENZENE [MI]CHEBI:5115DTXCID305329EC 207-321-7benzene, fluoroRefChem:599417207-321-7

Datenbank-Bezeichner

CAS
462-06-6
PubChem CID
10008
DTXSID
DTXSID4025329
ChEMBL
CHEMBL16070
ChEBI
CHEBI:5115
UNII
G3TSZ68K12
EC Number
207-321-7
Nikkaji
J43.543K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
7
Formalladung
0
Komplexität
46,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Other Solvents
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.01
Density · 2 Einträge

1.0225 at 68 °F (USCG, 1999) - Denser than water; will sink

1.024 @25 °C

Solubility1 to 10 mg/mL at 68 °F (NTP, 1992)
Flash Point5 °F (NTP, 1992)
Boiling Point · 2 Einträge

185.2 °F at 760 mmHg (NTP, 1992)

85.2 °C @760 [mm Hg]

Melting Point · 2 Einträge

-42.2 °F (NTP, 1992)

-40 °C

Vapor Density3.31 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.7% (2 of 300) of reports.

Danger

H225 (99%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P337+P317, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 300 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzene, fluoro-

REACH registered substance: Fluorobenzene (EC: 207-321-7)

Fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Burning in open flame can form toxic hydrogen fluoride gases.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 Einträge

Irritating to skin, eyes and mucous membranes. Repeated exposure of skin may cause dermatitis due to defatting action. Chronic inhalation of vapors or mist may result to damage to lungs, liver and kidneys. Acute vapor exposures can cause symptoms ranging from coughing to transient anesthesia and central nervous system depression. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used to control carbon content in steel manufacturing, as an identification reagent for plastic and resin polymers, and as an intermediate for insecticides and larvicides; [NTP] Used as an intermediate for pharmaceuticals, pesticides, and other organic compounds; [EPA - PPRTV]

Steel Producing [Category: Industry]

General Manufacturing InformationBenzene, fluoro-: ACTIVE
Anwendungen · 2 Einträge

BeschreibungFluorobenzene is a colourless, highly flammable liquid, stable and incompatible with oxidising agents. It is not compatible with oxidising agents such as perchlorates, peroxides, permanganates, chlorates, nitrates, chlorine, bromine and fluorine, ammonium nitrate, chromic acid, halogens, and nitric acid. It is used as an insecticide and as a reagent for plastic and resin polymers.

VerwendenFluorobenzene is used as a reagent for plastic or resin polymers. It acts as a solvent for highly reactive species. On fluorination of fluorobenzene it gives 1,2-difluorobenzene. It is also used as a material in making medicine.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

KohlenmonoxidCyclohexanTRIFLUOROACETIC ANHYDRIDE 10X1MLNitrobenzeneNatriumnitritFluoroboric acidAnilinFluorwasserstoff

Zugehörige Reaktionen

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Reaktionsgleichung von HRID 65525
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Vapor Pressure · 2 Einträge

60 mmHg at 67.3 °F ; 100 mmHg at 86.7 °F (NTP, 1992)

77.2 [mmHg]

Physical Description · 2 Einträge

Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5 °F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.

Liquid with an odor of benzene; [Merck Index] Colorless liquid with an aromatic odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-42 °C · -42 °C
Siedepunkt
85 °C · 85 °C(lit.)
Dichte
1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
Dampfdichte
3.31 · 3.31 (vs air)
Dampfdruck
81 hPa · 81hPa at 20℃
Brechungsindex
20 · n20/D 1.465(lit.)
Flammpunkt
9 °F · 9 °F
storage temp.
2 · 2-8°C
Löslichkeit
1.54 g/l · 1.54g/l
Aggregatzustand
Liquid
Farbe
Clear colorless
Wichte
1.024 · 1.024
Explosionsgrenze
1.3 · 1.3-8.9%(V)
Wasserlöslichkeit
INSOLUBLE
Spezifische Wärmekapazität
1.52 J/ · Cp(liquid): 1.52 J/(g·K), at 25℃
Merck
14 · 14,4170
BRN
1236623 · 1236623
Henry's Law Constant
1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
4.7 · 4.7(60℃)
Stabilität
Stable. Incompatible with oxidizing agents. Highly flammable - note low flash point.
Major Application
environmental
InChI
1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-N
SMILES
Fc1ccccc1
LogP
2.27 at · 2.27 at 25℃
CAS Datenbank
462 · 462-06-6(CAS DataBase Reference)
NIST chemische Informationen
Benzene, fluoro-(462-06-6)
EPA chemische Informationen
Fluorobenzene (462-06-6)
Hazards Summary · 1 Eintrag

Causes general anesthesia in inhalation lethal-concentration studies of mice; [RTECS] A 28-day inhalation study of rats produced adaptive liver changes (not considered toxicologically significant), and increased fluoride concentrations in bones and teeth; Not likely to cause developmental toxicity or teratogenicity, based on software modeling and a structurally similar compound (chlorobenzene); [EPA ChAMP: Submissions - Submission] May cause smarting and reddening of skin if spilled and allowed to remain on clothes; Vapor exposure may cause coughing, transient anesthesia, and CNS depression; Chronic inhalation exposure may cause lung, liver, and kidney injury; [CHRIS] A skin, eye, nose, and throat irritant; [ToxPlanet: FAHG] An irritant; [NTP] A mild skin and strong eye irritant; Vapors may cause narcotic effects; [Alfa Aesar MSDS] See Chlorobenzene.

DOT ID and Guide2387 130
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity ProfileIncompatible with strong oxidizing agents. (NTP, 1992)
DOT Hazard Classification · 4 Einträge

Fluorobenzene

UN2387

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (99%)

Flammable agents - 3rd degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

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.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 Einträge

24 [mg/m3]

260 [mg/m3]

1600 [mg/m3]

Personal Protective Equipment (PPE)Organic vapor-acid gas respirator where appropriate; neoprene or vinyl gloves; chemical safety spectacles, plus face shield where appropriate; rubber footwear; apron or impervious clothing for splash protection; hard hat. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 26,908 mg/m3
RAIS Toxicity Values · 2 Einträge

0.03

SCREEN Current

EPA Provisional Peer-Reviewed Toxicity Values · 4 Einträge

Fluorobenzene

PDF Document

Inadequate information to assess carcinogenic potential

2011

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2387
hs_code
29039990
RTECS-Nr.
DA0800000
risk_code
36/37/38-11-39/23/24/25-23/24/25-52/53-36
hazard_code
F,Xi,T
hazard_note
Flammable
safety_code
16-26-36-7-33-29-45-36/37-61-7/9
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Aquatic Chronic 2Eye Dam. 1Flam. Liq. 2

Nachgelagerte Produkte

Fluvastatin sodium salt4-Fluorthiophenol2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone1-Fluor-4-nitrobenzol2,4'-Difluorbenzophenon(E)-1-[Bis(4-fluorphenyl)methyl]-4-cinnamylpiperazindihydrochloridFlubendazolBis(4-fluorphenyl)keton2-Chlor-4'-fluorbenzophenon1,3-Dichloro-4-fluorobenzene2,4-Dichloro-5-fluoroacetophenoneIMAZODANgamma-(4-(p-Chlorphenyl)4-hydroxy-piperidino)-p-fluorbutyrophenon1-(4,4-Bis(4-fluorphenyl)butyl)-4-(4-chlor-3-(tri-fluormethyl)phe-nyl)-4-piperidinolFlusilazoleCisaprid1-Brom-4-fluorbenzol3-(4-Fluorbenzoyl)propionsaeure4-Fluor-3-phenoxybenzaldehyd2-Chlor-1-fluor-4-nitrobenzol

Ergänzende Hinweise

DefinitionChEBI: The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.