| Identification | More | [Name]
1-BROMO-3-ETHYNYL-BENZENE | [CAS]
766-81-4 | [Synonyms]
3-BROMOPHENYLACETYLENE
3'-BROMOPHENYL ACETYLENE
1-BROMO-3-ETHYNYL-BENZENE
Benzene, 1-broMo-3-ethynyl- | [Molecular Formula]
C8H5Br | [MDL Number]
MFCD03839983 | [Molecular Weight]
181.03 | [MOL File]
766-81-4.mol |
| Chemical Properties | Back Directory | [Boiling point ]
198.24°C (rough estimate) | [density ]
1.4466 | [refractive index ]
1.5896 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H | [InChIKey]
TZDXNFAAJNEYIO-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=CC(C#C)=C1 | [CAS DataBase Reference]
766-81-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P280-P305+P351+P338 | [Hazard Codes ]
Xn | [Risk Statements ]
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
WGK 3 | [HS Code ]
2903998090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 3'-bromophenylacetylene from (3-bromophenylethynyl)trimethylsilane was as follows: intermediate 1-1 (166 g, 655.6 mmol) was dissolved in methanol (1000 mL) and placed in the reactor. Subsequently, potassium carbonate (90.6 g, 655.6 mmol) was added slowly and dropwise to the above solution. The reaction mixture was stirred at room temperature for about 30 minutes and then filtered. The filtrate was distilled under reduced pressure to remove the solvent and the residue was dissolved in ethyl acetate. This ethyl acetate solution was washed twice with distilled water to remove water soluble impurities. Finally, the organic solvent was removed by reduced pressure distillation to give intermediates 1-2 (116 g, 98% yield). | [References]
[1] Patent: US2018/339967, 2018, A1. Location in patent: Paragraph 0159; 0161
[2] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 2, p. 630 - 639
[3] European Journal of Organic Chemistry, 2010, # 33, p. 6323 - 6330
[4] Organic Letters, 2017, vol. 19, # 19, p. 5182 - 5185
[5] Patent: US2009/48320, 2009, A1. Location in patent: Page/Page column 62; 82 |
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| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
T&W GROUP
|
| Telephone: |
021-61551611 13296011611 |
| Website: |
www.trustwe.com/ |
|