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CAS No.: | 66826-78-6 |
---|---|
Name: | 5-Bromo-2,3-dihydro-1-benzofuran |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C8H7BrO |
Molecular Weight: | 199.047 |
Synonyms: | 2,3-Dihydro-5-bromobenzofuran;5-Bromo-2,3-dihydro-1-benzofuran;5-Bromo-2,3-dihydrobenzo[b]furan;5-Bromo-2,3-dihydrobenzofuran; |
Density: | 1.583g/cm3 |
Melting Point: | 49 °C |
Boiling Point: | 251.658 °C at 760 mmHg |
Flash Point: | 99.671 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 9.23000 |
LogP: | 2.38400 |
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The 5-Bromo-2,3-dihydro-1-benzofuran, with CAS registry number 66826-78-6, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Building Blocks; (4)Furan & Benzofuran; (5)Heterocyclic Compounds. It has the systematic name of 5-bromo-2,3-dihydrobenzofuran. This chemical is a kind of white to light yellow crystal powder. And it should be kept cold.
Physical properties of 5-Bromo-2,3-dihydro-1-benzofuran: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.189; (4)ACD/LogD (pH 7.4): 3.189; (5)ACD/BCF (pH 5.5): 156.218; (6)ACD/BCF (pH 7.4): 156.218; (7)ACD/KOC (pH 5.5): 1293.841; (8)ACD/KOC (pH 7.4): 1293.841; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 43.111 cm3; (15)Molar Volume: 125.753 cm3; (16)Polarizability: 17.09×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 46.92 kJ/mol; (19)Vapour Pressure: 0.032 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-2,3-dihydro-1-benzofuran irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)CCO2
(2)InChI: InChI=1/C8H7BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
(3)InChIKey: UDWFSJAYXTXMLM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H7BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
(5)Std. InChIKey: UDWFSJAYXTXMLM-UHFFFAOYSA-N