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HCID 9993Erstellt: 27. Oktober 2026

1-Brom-4-fluorbenzol

1-BROMO-4-FLUOROBENZENE · BFB · 4-FLUOROBROMOBENZENE · P-BROMOFLUOROBENZENE · PBFB · 4-BROMO FLUORO BENZEN · 4-Bromo-1-fluorobenzene · PARA FLUORO BROMO BENZENE

https://huagongshe.com/de/chemical/9993

Molekülstruktur von 1-Brom-4-fluorbenzol

Identifikatoren & physikalische Daten

CAS No.460-00-4
SummenformelC6H4BrF
Durchschnittliche Molmasse175 g/mol
Monoisotopische Masse173,94804 g/mol
SMILESFc1ccc(Br)cc1
InChIKeyAITNMTXHTIIIBB-UHFFFAOYSA-N
PubChem CID9993
ChEMBLCHEMBL1876826
ChEBICHEBI:141551
EC No.207-300-2
DTXSIDDTXSID4027153
Lokaler Name1-Brom-4-fluorbenzol

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen0
Schwere Atome8
Formalladung0
Komplexität66
Dichte1.4946 at 68 °F (NTP, 1992) - Denser than waterwill sink1.593 @ 15°C1.593 g/mL at 25 °C(lit.)
Flammpunkt140 °F (NTP, 1992)
Siedepunkt306 °F at 764 mmHg (NTP, 1992)151.5 °C @760 [mm Hg]150 °C(lit.)
Schmelzpunkt18 °F (NTP, 1992)-17.4 °C−16 °C(lit.)
Dampfdruck2.84 [mmHg]4.99hPa at 25℃
Physical Description1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)Colorless to slightly yellow liquid[NTP] Colorless liquid with an aromatic odor[Alfa Aesar MSDS]
Kovats Retention Index896.9908908.3909.1940.9947
Brechungsindexn20/D 1.527(lit.)
Lagerbedingungen2-8°C
Löslichkeit0.136g/lSoluble in water(0.14g/L).
AggregatzustandLiquid
FarbeClear colorless
BRN774102
Henry-Konstante5.3×10-3 mol/(m3Pa) at 25℃, Hiatt (2013)
InChI1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyAITNMTXHTIIIBB-UHFFFAOYSA-N
SMILESFc1ccc(Br)cc1
LogP (Verteilungskoeffizient)3.018 at 25℃
CAS Datenbank460-00-4(CAS DataBase Reference)
NIST chemische Informationenp-Bromofluorobenzene(460-00-4)
EPA chemische Informationenp-Bromofluorobenzene (460-00-4)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 1.2% (2 of 161) of reports.WarningH226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (33.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (33.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (66.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (78.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (64.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 161 reports by companies.There are 15 notifications provided by 159 of 161 reports by companies with hazard statement code(s).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. For more detailed information, please visit ECHA C&L website.
Regulatorische InformationenChemical: Benzene, 1-bromo-4-fluoro-SP - indicates a substance that is identified in a proposed Significant New Use Rule.Status: Active Update: 17-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10621Status: Cease Manufacture Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/186181-Bromo-4-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
DOT-KennzeichnungFlammable Liquid

Anwendungen & Verwendung

Verwenden

4-Bromofluorobenzene is a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents.

BrandgefahrenExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
GefahrenübersichtA skin and eye irritant in rabbitsA mild skin sensitizer in guinea pigs (20% sensitization rate in the Magnusson and Kligman test)Acute oral and inhalation studies of rats produced tremor, changes in motor activity, ataxia, and/or dyspneaStructurally similar compounds are hepatotoxins and animal carcinogens[NTP] A mild skin and strong eye irritantHarmful by inhalation[Alfa Aesar MSDS] See p-Dichlorobenzene.
Reaktive GruppeAryl Halides
Reactivity AlertsHighly Flammable
Reactivity ProfileSimple aromatic halogenated organic compounds, such as 1-BROMO-4-FLUOROBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (98.8%)Acute Tox. 4 (33.5%)Skin Irrit. 2 (66.5%)Eye Irrit. 2 (78.9%)Acute Tox. 4 (89.4%)STOT SE 3 (64.6%)
BrandbekämpfungTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguishera water spray may also be used. (NTP, 1992)
Erste HilfeEYES: 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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Protective Action Criteria (PAC)12 [mg/m3]130 [mg/m3]790 [mg/m3]
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.RECOMMENDED GLOVE MATERIALS: Permeation data indicate that butyl rubber gloves may provide protection to contact with this compound. Butyl rubber over latex gloves is recommended. However, if this chemical makes direct contact with your gloves, or if a tear, hole or puncture develops, remove them at once. (NTP, 1992)
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 18,000 mg/m3/4hr
RAIS Toxicity Values0.03SCREEN Current0.00030.003PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Valuesp-BromofluorobenzenePDF DocumentInadequate information to assess carcinogenic potential2017
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-062.30e+013.50e+024.60e+001.00e+014.40e-033.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-047.00e+011.10e+031.40e+011.00e+013.00e-04Volatile
Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1993 3/PG 3
Zollcode29036990
RTECS-Nr.CY9033750
R-Sätze (R)10-36/37/38-20-39/23/24/25-23/24/25-11-20/21/22
GefahrensymboleXi,F,Xn,T
hazard_noteFlammable/Irritant
Sicherheitshinweise (S)26-36-37/39-16-45-36/37-7
Gefahrenklasse3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids