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| CAS No.: | 147621-18-9 |
|---|---|
| Name: | Indole-6-boronic acid |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H8BNO2 |
| Molecular Weight: | 160.968 |
| Synonyms: | Boronicacid, 1H-indol-6-yl- (9CI);1H-Indol-6-ylboronic acid;Indol-6-ylboronic acid; |
| Density: | 1.331 g/cm3 |
| Melting Point: | 177-181 °C |
| Boiling Point: | 433.229 °C at 760 mmHg |
| Flash Point: | 215.81 °C |
| Appearance: | off-white solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 56.25000 |
| LogP: | -0.15230 |
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Specification
This chemical is called Boronic acid, B-1H-indol-6-yl-, and its systematic name is 1H-indol-6-ylboronic acid. With the molecular formula of C8H8BNO2, its product categories are Blocks; Boronic Acids; Indoles Oxindoles; Organoborons. The CAS registry number of this chemical is 147621-18-9.
Other characteristics of the Boronic acid, B-1H-indol-6-yl- can be summarised as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.648; (4)ACD/LogD (pH 7.4): 1.646; (5)ACD/BCF (pH 5.5): 10.538; (6)ACD/BCF (pH 7.4): 10.472; (7)ACD/KOC (pH 5.5): 187.8; (8)ACD/KOC (pH 7.4): 186.619; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.25 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 44.77 cm3; (15)Molar Volume: 120.936 cm3; (16)Polarizability: 17.748×10-24cm3; (17)Surface Tension: 60.995 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 215.81 °C; (20)Enthalpy of Vaporization: 72.641 kJ/mol; (21)Boiling Point: 433.229 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1ccc2cc[nH]c2c1)(O)O
2.InChI: InChI=1/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
3.InChIKey: ZVMHOIWRCCZGPZ-UHFFFAOYAQ