4-Bromotryptophol supplier | CasNO.202753-56-8

Name
4-BROMOTRYPTOPHOL
EINECS
CAS No. 202753-56-8
Article Data10
CAS DataBase
Density 1.618 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀BrNO
Boiling Point 411.5 °C at 760 mmHg
Molecular Weight 240.099
Flash Point 202.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-4-Bromoindol-3-yl)ethanol;
PSA 36.02000
LogP 2.46520

4-Bromotryptophol Specification

This chemical is called 1H-Indole-3-ethanol,4-bromo-, and its systematic name is 2-(4-Bromo-1H-indol-3-yl)ethanol. With the molecular formula of C₁₀H₁₀BrNO, its molecular weight is 240.10. The CAS registry number of the chemical is 202753-56-8.

Other characteristics of 1H-Indole-3-ethanol,4-bromo- can be summarised as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.46; (6)ACD/BCF (pH 7.4): 21.46; (7)ACD/KOC (pH 5.5): 312.51; (8)ACD/KOC (pH 7.4): 312.51; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.02 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 57.3 cm³; (15)Molar Volume: 148.3 cm³; (16)Polarizability: 22.71×10^-24cm³; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.618 g/cm³; (19)Flash Point: 202.6 °C; (20)Enthalpy of Vaporization: 70.01 kJ/mol; (21)Boiling Point: 411.5 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(c(c1)Br)c(c[nH]2)CCO
2.InChI: InChI=1/C10H10BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2
3.InChIKey: UQTDRZYOUJTQQB-UHFFFAOYAY
4.Std. InChI: InChI=1S/C10H10BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2
5.Std. InChIKey: UQTDRZYOUJTQQB-UHFFFAOYSA-N

Product Name

4-BROMOTRYPTOPHOL

4-Bromotryptophol Specification

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