1-Bromo-2,3-difluorobenzene Chemical Properties

Boiling point:

234 °C (765 mmHg)

Density 

1.724 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.509(lit.)

Flash point:

142 °F

storage temp. 

2-8°C

form 

clear liquid

color 

Colorless to Almost colorless

Specific Gravity

1.724

InChIKey

RKWWASUTWAFKHA-UHFFFAOYSA-N

CAS DataBase Reference

38573-88-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-37/39

RIDADR 

1993

WGK Germany 

3

Hazard Note 

Flammable

HazardClass 

3.2

PackingGroup 

III

HS Code 

29039990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1-Bromo-2,3-difluorobenzene Usage And Synthesis

Chemical Properties

Clear colorless to peach liquid

Uses

1-Bromo-2,3-difluorobenzene may be used in the synthesis of potent, orally active Calcitonin gene-related peptide (CGRP) receptor antagonist (BMS-846372). It may be used in the preparation of 2,3-difluorophenyl(dimethyl)phosphane.

Uses

intermediate for liquid crystal and drugs

General Description

Microbial oxidation of 1-bromo-2,3-difluorobenzene by Pseudomonas putida strain 39/D and Escherichia coli recombinant microorganism (strain JM 109(pDTG601)) has been reported.

Synthesis

Add 50% aqueous solution of KOH (18.0 g, 160 mmol) to a mixture of 1-bromo-5,5,6,6-tetrafluorocyclohex-1-ene (11.65 g) and triethylbenzylammonium chloride (0.15 g, 0.7 mmol) at 30-35°C for 30 minutes. Keep the reaction mixture at 75-85°C for 2 hours. Cool the reaction mixture. Dilute the reaction mixture with water. Extract the organic product with CH2Cl2. Dry the organic product over CaCl2. Distill the organic product. 1H NMR (CDCl3, 300.1 MHz), δ: 7.00-7.16 (m, 1H, Ar); 7.17-7.29 (m, 1H, Ar); 7.34-7.47 (m, 1H, Ar). 13C NMR (CDCl3, 75.5 MHz), δ: 110.40 (d, C(1), J = 17.5 Hz); 116.40 (d, C(4), J = 17.7 Hz); 124.70 (dd, C(5), J = 7.1 Hz, J = 5.0 Hz); 128.23 (d, C(6), J = 3.6 Hz); 148.10 (dd, C(2), J = 248.8 Hz, J = 14.3 Hz); 150.92 (dd, C(3), J = 251.9 Hz, J = 13.3 Hz). 19F NMR (CDCl3, 282.4 MHz), δ: -130.9 (m, 1 F, Ar), -134.8 (m, 1 F, Ar). BP 157-158°C. Elemental Analysis Found (%): C, 37.54; H, 1.50. C6H3BrF2. Calculated (%): C, 37.34; H, 1.52. Mass Spec MS, m/z (Irel (%)): 194, 192 [M]+ (100, 99), 113 [M-Br]+ (88), 63 (60).
Fig The synthetic method of 1-Bromo-2,3-difluorobenzene

storage

Keep container sealed and store in an ventilated, low temperature, dry warehouse, separate from foods and oxidizing agents.

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