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CAS No.: | 193694-04-1 |
---|---|
Name: | 4-BROMO-1-(TERT-BUTYLDIMETHYLSILYL)INDOLE |
Molecular Structure: | |
Formula: | C14H20BrNSi |
Molecular Weight: | 310.3 |
Synonyms: | 4-Bromo-1-(tert-butyl-dimethylsilyl)-1H-indole; |
Density: | 1.17 g/cm3 |
Melting Point: | 82-84 °C |
Boiling Point: | 293 °C at 760 mmHg |
Flash Point: | 131 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful/Irritant/Keep "> Xi:Harmful/Irritant/Keep |
PSA: | 4.93000 |
LogP: | 5.25710 |
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The 1H-Indole,4-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-, with the CAS registry number 193694-04-1, is also known as 4-Bromo-1-(tert-butyldimethylsilyl)indole. It belongs to the product categories of Blocks; Indoles Oxindoles; Indole. This chemical's molecular formula is C14H20BrNSi and molecular weight is 310.3048. Its IUPAC name is called (4-bromoindol-1-yl)-tert-butyl-dimethylsilane. 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 1H-Indole,4-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-: (1)ACD/LogP: 5.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.9; (4)ACD/LogD (pH 7.4): 5.9; (5)ACD/BCF (pH 5.5): 17949.75; (6)ACD/BCF (pH 7.4): 17949.75; (7)ACD/KOC (pH 5.5): 38604.84; (8)ACD/KOC (pH 7.4): 38604.84; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 82.22 cm3; (13)Molar Volume: 264.5 cm3; (14)Surface Tension: 29 dyne/cm; (15)Density: 1.17 g/cm3; (16)Flash Point: 131 °C; (17)Enthalpy of Vaporization: 53.25 kJ/mol; (18)Boiling Point: 293 °C at 760 mmHg; (19)Vapour Pressure: 0.00177 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)[Si](C)(C)N1C=CC2=C1C=CC=C2Br
(2)InChI: InChI=1S/C14H20BrNSi/c1-14(2,3)17(4,; (3)5)16-10-9-11-12(15)7-6-8-13(11)16/h6-10H,1-5H3
(4)InChIKey: LTHHTJMKYUPWCR-UHFFFAOYSA-N