1-Bromo-4-fluorobenzene
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1-Bromo-4-fluorobenzene
structure -
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CAS No:
460-00-4
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Formula:
C6H4BrF
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Chemical Name:
1-Bromo-4-fluorobenzene
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Synonyms:
Benzene,1-bromo-4-fluoro-;1-Bromo-4-fluorobenzene;p-Fluorobromobenzene;1-Fluoro-4-bromobenzene;p-Bromofluorobenzene;p-Fluorophenyl bromide;4-Bromofluorobenzene;4-Fluorophenyl bromide;4-Fluoro-1-bromobenzene;4-Fluorobromobenzene;4-Fluorobenzene bromide;4-Bromo-1-fluorobenzene;4-Bromophenyl fluoride;NSC 10268;NSC 9460;p-Bromophenyl fluoride
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CAS No:
Description
clear colorless liquid
4-Bromofluorobenzene is a halogenated aromatic organic compound with the formula C6H4BrF. It is a derivative of benzene, with a bromine atom bonded para to a fluorine atom. It has uses as a precursor to some pharmaceuticals, as an agrochemical intermediate, and in organic synthesis.
1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)
1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)|1-bromo-4-fluorobenzene is a member of the class of bromobenzenes that is bromobenzene carrying a fluoro atom at position 4. It is a member of bromobenzenes and a member of monofluorobenzenes.
1-Bromo-4-fluorobenzene Basic Attributes
175
175.00
774102
207-300-2
A7ZH69I3KH
10268|9460
1993
DTXSID4027153
29036990
Characteristics
0
3.2
Clear colorless Liquid
1.7282 g/cm3 @ Temp: 21 °C
-17.4 °C
151.5 °C
140 °F
1.530
soluble in water(0.14g/L).
0-6°C
519mmHg at 25°C
Highly flammable. Insoluble in water.
Aryl Halides
Highly Flammable
Simple 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.
Safety Information
Ⅲ
3
UN 1993 3/PG 3
1
10-36/37/38-20-39/23/24/25-23/24/25-11-20/21/22
26-36-37/39-16-45-36/37-7
CY9033750
Xi,F,Xn,T
Flammable/Irritant
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H226-H315-H319-H332-H335
UN 1993 3/PG 3
P261; P280; P304 + P340 + P312; P305 + P351 + P338; P337 + P313; P403 + P235
Excerpt 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 ground and collect in low or confined areas (sewers, basements, tanks). 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 are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)
To extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an 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 car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL 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)
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)
Drug Information
ACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
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. 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 area; take 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 used; if 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)
1-Bromo-4-fluorobenzene Use and Manufacturing
The preparation method is to add fluorobenzene and a little iron powder as a catalyst to the reactor, add bromine at 5-15°C, and react at 40°C until the bromine disappears to obtain the product.
4-Bromofluorobenzene is a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents. 1-Bromo-4-fluorobenzene is an intermediate of the fungicide flusilazole. Organic synthesis intermediate; used in the synthesis of medicines and pesticides
agro chemical pesticide
agro chemical pesticide
Pesticide, fertilizer, and other agricultural chemical manufacturing|Benzene, 1-bromo-4-fluoro-: ACTIVE|SP - indicates a substance that is identified in a proposed Significant New Use Rule.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, custom temperature program | Packed | Apiezon M | 940.9 | custom temperature program | Chromosorb W; Column length: 2. m; Program: not specified | Jalali-Heravi, M.Garkani-Nejad, Z.Prediction of gas chromatographic retention indices of some benzene derivativesJ. Chromatogr.1993, 648, 2, 389-393. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | DB-1 | 896.9 | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C | Sun, G.Stremple, P.Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. | |
| Kovats' RI, non-polar column, custom temperature program | Packed | SE-30 | 908. | temperature ramp | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m | Peng, C.T.Ding, S.F.Hua, R.L.Yang, Z.C.Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar ColumnsJ. Chromatogr.1988, 436, 137-172. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | DB-5 | 947. | custom temperature program | He; Column length: 30. m; Program: not specified | Sorimachi, J.Tanabe, A.Mitobe, H.Kuniaki, K.Masaaki, S.Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysisNiigata-ken Eisei Kogai Kenkyusho Nenpo1995, 11, 75-79. |
Computed Properties
Molecular Weight:175.00
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:173.94804
Monoisotopic Mass:173.94804
Heavy Atom Count:8
Complexity:66.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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