ChemicalBook--->CAS DataBase List--->77771-02-9

77771-02-9

77771-02-9 Structure

77771-02-9 Structure
IdentificationMore
[Name]

3-Bromo-4-fluorobenzaldehyde
[CAS]

77771-02-9
[Synonyms]

3-BROMO-4-FLUOROBENZALDEHYDE
LABOTEST-BB LT01143325
3-Bromo-4-fluorobenzaldehyde 98%
3-Bromo-4-fluorobenzaldehyde98%
Benzaldehyde, 3-bromo-4-fluoro-
[EINECS(EC#)]

278-764-1
[Molecular Formula]

C7H4BrFO
[MDL Number]

MFCD00042186
[Molecular Weight]

203.01
[MOL File]

77771-02-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow low melting solid
[Melting point ]

31-33 °C (lit.)
[Boiling point ]

138-139 °C/2.5 mmHg (lit.)
[density ]

1.6698 (rough estimate)
[refractive index ]

1.574
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Low Melting Solid
[color ]

White to light yellow
[Water Solubility ]

INSOLUBLE
[Sensitive ]

Air Sensitive
[BRN ]

5806226
[InChI]

InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
[InChIKey]

FAHZIKXYYRGSHF-UHFFFAOYSA-N
[SMILES]

C(=O)C1=CC=C(F)C(Br)=C1
[CAS DataBase Reference]

77771-02-9(CAS DataBase Reference)
[EPA Substance Registry System]

77771-02-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29130000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Fluorobenzaldehyde
[Preparation Products]

4-Fluoro-3-phenoxybenzaldehyde-->Benzonitrile, 2-fluoro-5-(hydroxymethyl)- (9CI)-->3-BROMO-4-FLUOROCINNAMIC ACID-->2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-, ethyl ester, (2E)--->3-bromo-4-(methylsulfanyl)benzaldehyde-->Methyl (2Z)-3-(3-bromo-4-fluorophenyl)-2-acetamidoprop-2-enoate-->3-BROMO-4-FLUOROBENZALDOXIME-->2-Fluoro-5-formylphenylboronic acid pinacol ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromo-4-fluorobenzaldehyde(77771-02-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow low melting solid
[Uses]

3-Bromo-4-fluorobenzaldehyde can be used for pest control.
[Synthesis]

A synthetic method of 3-bromo-4-fluorobenzaldehyde comprises the following steps: (1) dissolving 4-fluorobenzaldehyde in dichloromethane to obtain a solution A; (2) dissolving sodium bromide in pure water and adding 35% hydrochloric acid while stirring to obtain a solution B; (3) mixing the solution A and the solution B, starting ultrasonic waves, and dropwise adding a sodium hypochlorite aqueous solution under stirring; (4) after the dripping is finished, carrying out ultrasonic treatment, keeping the temperature under stirring, and then standing; (5) phase separation, washing dichloromethane phase to neutrality, drying and desolventizing; (6) obtaining a crude product, and carrying out bulk melting crystallization at 31 ℃ to obtain a pure product.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-4-fluorobenzaldehyde(77771-02-9)MS
3-Bromo-4-fluorobenzaldehyde(77771-02-9)1HNMR
3-Bromo-4-fluorobenzaldehyde(77771-02-9)IR1
3-Bromo-4-fluorobenzaldehyde(77771-02-9)IR2
3-Bromo-4-fluorobenzaldehyde(77771-02-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromo-4-fluorobenzaldehyde, 99%(77771-02-9)
[Alfa Aesar]

3-Bromo-4-fluorobenzaldehyde, 98%(77771-02-9)
[Sigma Aldrich]

77771-02-9(sigmaaldrich)
[TCI AMERICA]

3-Bromo-4-fluorobenzaldehyde,>95.0%(GC)(77771-02-9)
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