3-Bromobenzylmercaptan supplier

Name
3-BROMOBENZYLMERCAPTAN
EINECS
CAS No. 886497-84-3
Density 1.493 g/cm³
Solubility Insoluble in water. Soluble in toluene.
Melting Point
Formula C₇H₇BrS
Boiling Point 264.7 °C at 760 mmHg
Molecular Weight 203.10
Flash Point 113.9 °C
Transport Information UN 2810 6.1/PG 3
Appearance colorless to lark liquid appearing to be rotten
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms (3-Bromophenyl)methanethiol;(3-Bromophenyl)methane-1-thiol;3-Bromo-α-toluenethiol;
PSA 38.80000
LogP 2.87890

3-Bromobenzylmercaptan Specification

The Benzenemethanethiol,3-bromo-, with the CAS registry number 886497-84-3, is also known as (3-Bromophenyl)methane-1-thiol. This chemical's molecular formula is C₇H₇BrS and molecular weight is 203.10. What's more, its systematic name is (3-bromophenyl)methanethiol. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides and air.

Physical properties of Benzenemethanethiol,3-bromo- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.24; (6)ACD/BCF (pH 7.4): 272.49; (7)ACD/KOC (pH 5.5): 1935.56; (8)ACD/KOC (pH 7.4): 1923.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 46.75 cm³; (15)Molar Volume: 135.9 cm³; (16)Polarizability: 18.53×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.493 g/cm³; (19)Flash Point: 113.9 °C; (20)Enthalpy of Vaporization: 48.23 kJ/mol; (21)Boiling Point: 264.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0157 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)CS
(2)Std. InChI: InChI=1S/C7H7BrS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
(3)Std. InChIKey: LXEHTZZVGCUFCS-UHFFFAOYSA-N

Product Name

3-BROMOBENZYLMERCAPTAN

3-Bromobenzylmercaptan Specification

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