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| CAS No.: | 39161-84-7 |
|---|---|
| Name: | 4-MERCAPTOPHENYLACETIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H8O2S |
| Molecular Weight: | 168.216 |
| Synonyms: | 2-(4-Mercaptophenyl)aceticacid;4-Mercaptophenylacetic acid;p-Mercaptophenylacetic acid; |
| Density: | 1.299 g/cm3 |
| Melting Point: | 105-109 °C(lit.) |
| Boiling Point: | 336 °C at 760 mmHg |
| Flash Point: | 157 °C |
| Solubility: | Slightly soluble in water. Soluble in Dichloromethane, Ethanol and Methanol |
| Appearance: | White Powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37/38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 76.10000 |
| LogP: | 1.60240 |
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Specification
The Benzeneacetic acid,4-mercapto- is an organic compound with the formula C8H8O2S. The systematic name of this chemical is (4-sulfanylphenyl)acetic acid. With the CAS registry number 39161-84-7, it is also named as 2-(4-mercaptophenyl)acetic acid. The product's categories are Aromatic Phenylacetic Acids and Derivatives; Intermediates; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans. Besides, it is a white powder, which should be stored in a closed cool and dry place.
Physical properties about Benzeneacetic acid,4-mercapto- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 51.6 Å2; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 45.54 cm3; (14)Molar Volume: 129.4 cm3; (15)Polarizability: 18.05×10-24cm3; (16)Surface Tension: 55.9 dyne/cm; (17)Density: 1.299 g/cm3; (18)Flash Point: 157 °C; (19)Enthalpy of Vaporization: 61.12 kJ/mol; (20)Boiling Point: 336 °C at 760 mmHg; (21)Vapour Pressure: 4.54E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes. Besides, this chemical is irritating to respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccc(S)cc1
(2)InChI: InChI=1/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
(3)InChIKey: ORXSLDYRYTVAPC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
(5)Std. InChIKey: ORXSLDYRYTVAPC-UHFFFAOYSA-N