Contact us: +91 9550333722 040 - 40102781
Structured search
India
Choose your country
Different countries will display different contents
Try our best to find the right business for you.
My chemicalbook

Welcome back!

HomeProduct name list1-Bromo-2,3-difluorobenzene

1-Bromo-2,3-difluorobenzene

  • CAS NO.:38573-88-5
  • Empirical Formula: C6H3BrF2
  • Molecular Weight: 192.99
  • MDL number: MFCD00061136
  • EINECS: 609-564-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-19 17:35:41
1-Bromo-2,3-difluorobenzene Structural

What is 1-Bromo-2,3-difluorobenzene?

Chemical properties

Clear colorless to peach liquid

The Uses of 1-Bromo-2,3-difluorobenzene

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.

The Uses of 1-Bromo-2,3-difluorobenzene

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).
synthetic method of 1-Bromo-2,3-difluorobenzeneFig 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.

Properties of 1-Bromo-2,3-difluorobenzene

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
Specific Gravity 1.724
color  Colorless to Almost colorless
CAS DataBase Reference 38573-88-5(CAS DataBase Reference)

Safety information for 1-Bromo-2,3-difluorobenzene

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for 1-Bromo-2,3-difluorobenzene

InChIKey RKWWASUTWAFKHA-UHFFFAOYSA-N

Related products of tetrahydrofuran

You may like

Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.