Benzene,1,3,5-tribromo-2-isothiocyanato- supplier

Name
2,4,6-TRIBROMOPHENYL ISOTHIOCYANATE
EINECS
CAS No. 22134-11-8
Density 2.21 g/cm³
Solubility
Melting Point 106 °C
Formula C₇H₂Br₃NS
Boiling Point 380.1 °C at 760 mmHg
Molecular Weight 371.878
Flash Point 183.7 °C
Transport Information
Appearance
Safety
Risk Codes R20/21/22; R36/37/38
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms 2,4,6-Tribromophenyl isothiocyanate;
PSA 44.45000
LogP 4.70840

Benzene,1,3,5-tribromo-2-isothiocyanato- Specification

The Benzene,1,3,5-tribromo-2-isothiocyanato-, with the CAS registry number 22134-11-8, is also known as 2,4,6-Tribromophenyl isothiocyanate. This chemical's molecular formula is C₇H₂Br₃NS and molecular weight is 371.87. What's more, its IUPAC name is 1,3,5-tribromo-2-isothiocyanatobenzene.

Physical properties of Benzene,1,3,5-tribromo-2-isothiocyanato- are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6567.38; (6)ACD/BCF (pH 7.4): 6567.38; (7)ACD/KOC (pH 5.5): 18796.66; (8)ACD/KOC (pH 7.4): 18796.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 65.3 cm³; (15)Molar Volume: 167.7 cm³; (16)Polarizability: 25.88×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 2.21 g/cm³; (19)Flash Point: 183.7 °C; (20)Enthalpy of Vaporization: 60.36 kJ/mol; (21)Boiling Point: 380.1 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(Br)c1\N=C=S
(2)Std. InChI: InChI=1S/C7H2Br3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
(3)Std. InChIKey: ACYYDRJUIUJDCG-UHFFFAOYSA-N

Product Name

2,4,6-TRIBROMOPHENYL ISOTHIOCYANATE

Benzene,1,3,5-tribromo-2-isothiocyanato- Specification

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