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Benzenethiol, 4-phenoxy-

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Name

Benzenethiol, 4-phenoxy-

EINECS N/A
CAS No. 38778-05-1 Density 1.171g/cm3
PSA 48.03000 LogP 3.76760
Solubility N/A Melting Point N/A
Formula C12H10OS Boiling Point 308.4 °C at 760 mmHg
Molecular Weight 202.277 Flash Point 140.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 38778-05-1 (4-PHENOXYTHIOPHENOL) Hazard Symbols N/A
Synonyms

Benzenethiol, p-phenoxy- (6CI);Phenol, p-phenylmercapto- (3CI);4-Mercaptodiphenylether;4-Phenoxybenzenethiol;4-Phenoxythiophenol;p-Phenoxymercaptobenzene;

Article Data 12

Benzenethiol, 4-phenoxy- Specification

The Benzenethiol, 4-phenoxy-, with CAS registry number 38778-05-1, has the systematic name of 4-phenoxybenzenethiol. Besides this, it is also called 4-Phenoxy-benzenethiol. And the chemical formula of this chemical is C12H10OS.

Physical properties of Benzenethiol, 4-phenoxy-: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 1509.39; (6)ACD/BCF (pH 7.4): 189.5; (7)ACD/KOC (pH 5.5): 6389.1; (8)ACD/KOC (pH 7.4): 802.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 24.13×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.171 g/cm3; (19)Flash Point: 140.3 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 308.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00124 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenethiol, 4-phenoxy- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(c1ccccc1)c2ccc(S)cc2
(2)InChI: InChI=1/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
(3)InChIKey: VUFOTXYLUWEYFC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
(5)Std. InChIKey: VUFOTXYLUWEYFC-UHFFFAOYSA-N

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