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| CAS No.: | 19552-10-4 |
|---|---|
| Name: | 4-BROMOBENZYL MERCAPTAN |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H7BrS |
| Molecular Weight: | 203.103 |
| Synonyms: | a-Toluenethiol, p-bromo- (8CI);(4-Bromophenyl)methanethiol;4-Bromobenzenemethanethiol;4-Bromobenzylmercaptan;NSC 114661;p-Bromobenzenemethanethiol;p-Bromobenzylthiol; |
| Density: | 1.494 g/cm3 |
| Melting Point: | 27-31 °C(lit.) |
| Boiling Point: | 264.662 °C at 760 mmHg |
| Flash Point: | 113.864 °C |
| Appearance: | colorless to light yellow liquid |
| Safety: | 22-24/25 |
| Transport Information: | UN 2811 |
| PSA: | 38.80000 |
| LogP: | 2.87890 |
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Specification
The Benzenemethanethiol,4-bromo-, with the CAS registry number 19552-10-4, is also known as 4-Bromo-alpha-toluenethiol. It belongs to the product category of Phenol & Thiophenol & Mercaptan. This chemical's molecular formula is C7H7BrS and molecular weight is 203.09948. Its IUPAC name is called (4-bromophenyl)methanethiol. When you are using this chemical, please be cautious about it. You should not breathe its dust and avoid contacting it with skin and eyes.
Physical properties of Benzenemethanethiol,4-bromo-: (1)ACD/LogP: 3.51; (2)#Freely Rotating Bonds: 2; (3)Index of Refraction: 1.603; (4)Molar Refractivity: 46.75 cm3; (5)Molar Volume: 135.9 cm3; (6)Surface Tension: 42.1 dyne/cm; (7)Density: 1.493 g/cm3; (8)Flash Point: 113.9 °C; (9)Enthalpy of Vaporization: 48.23 kJ/mol; (10)Boiling Point: 264.7 °C at 760 mmHg; (11)Vapour Pressure: 0.0157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CS)Br
(2)InChI: InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
(3)InChIKey: CUCKXDPCCYHFMQ-UHFFFAOYSA-N