Basic Information | Post buying leads | Suppliers |
Name |
3-Bromobenzylmercaptan |
EINECS | N/A |
CAS No. | 886497-84-3 | Density | 1.493 g/cm3 |
PSA | 38.80000 | LogP | 2.87890 |
Solubility | Insoluble in water. Soluble in toluene. | Melting Point |
N/A |
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 | N/A | |
Synonyms |
(3-Bromophenyl)methanethiol;(3-Bromophenyl)methane-1-thiol;3-Bromo-α-toluenethiol; |
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