Quinoxaline,5-bromo-6-isothiocyanato- supplier

Name
5-BROMO-6-ISOTHIOCYANATE QUINOXALINE
EINECS
CAS No. 134892-46-9
Density 1.7g/cm³
Solubility
Melting Point 154-158℃
Formula C₉H₄BrN₃S
Boiling Point 414 °C at 760 mmHg
Molecular Weight 266.12
Flash Point 204.2 °C
Transport Information
Appearance Brown Solid
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-6-isothiocyanatoquinoxaline;5-BROMO-6-ISOTHIOCYANATOQUINOXALINE;
PSA 70.23000
LogP 3.12660

Quinoxaline,5-bromo-6-isothiocyanato- Specification

The Quinoxaline,5-bromo-6-isothiocyanato-, with CAS registry number 134892-46-9, belongs to the following product categories: (1)Heterocyclic Compounds; (2)Heterocycles; (3)Sulfur & Selenium Compounds. It has the systematic name of 5-bromo-6-isothiocyanatoquinoxaline. This chemical is a kind of brown solid. And the chemical formula of this chemical is C₉H₄BrN₃S.

Physical properties of Quinoxaline,5-bromo-6-isothiocyanato-: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 119.48; (6)ACD/BCF (pH 7.4): 119.48; (7)ACD/KOC (pH 5.5): 1067.92; (8)ACD/KOC (pH 7.4): 1067.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.23 Å²; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 62.96 cm³; (15)Molar Volume: 155.8 cm³; (16)Polarizability: 24.96×10^-24cm³; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 204.2 °C; (20)Enthalpy of Vaporization: 64.1 kJ/mol; (21)Boiling Point: 414 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(/N=C=S)ccc2nccnc12
(2)InChI: InChI=1/C9H4BrN3S/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-4H
(3)InChIKey: CRNMXQMOFAYYEX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H4BrN3S/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-4H
(5)Std. InChIKey: CRNMXQMOFAYYEX-UHFFFAOYSA-N

Product Name

5-BROMO-6-ISOTHIOCYANATE QUINOXALINE

Quinoxaline,5-bromo-6-isothiocyanato- Specification

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