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| CAS No.: | 191162-40-0 |
|---|---|
| Name: | 1-METHYL-1H-INDOLE-2-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H10BNO2 |
| Molecular Weight: | 174.995 |
| Synonyms: | Boronicacid, (1-methyl-1H-indol-2-yl)- (9CI);(1-Methyl-1H-indol-2-yl)boronic acid;1-Methylindole-2-boronic acid; |
| Density: | 1.16 g/cm3 |
| Melting Point: | 108-112 °C |
| Boiling Point: | 402.572 °C at 760 mmHg |
| Flash Point: | 197.269 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
| Safety: | 26-39 |
| PSA: | 45.39000 |
| LogP: | -0.14190 |
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Specification
The Boronic acid,B-(1-methyl-1H-indol-2-yl)-, with the CAS registry number 191162-40-0, is also known as 1-Methyl-1H-indole-2-boronic acid 95%. It belongs to the product categories of Blocks; Boronic Acids; Indoles Oxindoles. This chemical's molecular formula is C9H10BNO2 and molecular weight is 174.9922. Its systematic name is called (1-methyl-1H-indol-2-yl)boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Boronic acid,B-(1-methyl-1H-indol-2-yl)-: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 17; (5)ACD/BCF (pH 7.4): 17; (6)ACD/KOC (pH 5.5): 261; (7)ACD/KOC (pH 7.4): 258; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 49.231 cm3; (13)Molar Volume: 149.839 cm3; (14)Surface Tension: 42.505 dyne/cm; (15)Density: 1.168 g/cm3; (16)Flash Point: 197.269 °C; (17)Enthalpy of Vaporization: 68.939 kJ/mol; (18)Boiling Point: 402.572 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cc1ccccc1n2C
(2)InChI: InChI=1/C9H10BNO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3
(3)InChIKey: CBPBJUTWVXLSER-UHFFFAOYAY