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
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).
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.
Properties of 1-Bromo-2,3-difluorobenzene
Boiling point: | 234 °C (765 mmHg) |
Density | 1.724 g/mL at 25 °C(lit.) |
refractive index | n |
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) |
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 |
Abamectin manufacturer
EPOCH LABS
Tulasi Labs
ARRKEM LIFE SCIENCES PRIVATE LIMITED
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