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4-Trifluoromethylthiobenzene-1,2-diamine

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Name

4-Trifluoromethylthiobenzene-1,2-diamine

EINECS N/A
CAS No. 370-46-7 Density 1.452 g/cm3
PSA 77.34000 LogP 3.62530
Solubility N/A Melting Point N/A
Formula C7H7F3N2S Boiling Point 236.683 °C at 760 mmHg
Molecular Weight 208.2 Flash Point 96.943 °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 370-46-7 (4-(TRIFLUOROMETHYLTHIO)BENZENE-1,2-DIAMINE) Hazard Symbols N/A
Synonyms

1,2-benzenediamine, 4-[(trifluoromethyl)thio]-;4-[(Trifluoromethyl)sulfanyl]benzene-1,2-diamine;4-(Trifluoromethylthio)phenylene-1,2-diamine;

 

4-Trifluoromethylthiobenzene-1,2-diamine Specification

The 1,2-Benzenediamine,4-[(trifluoromethyl)thio]-, with the CAS registry number 370-46-7, has the systematic name and IUPAC name of 4-(trifluoromethylsulfanyl)benzene-1,2-diamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H7F3N2S.

The characteristics of 1,2-Benzenediamine,4-[(trifluoromethyl)thio]- are as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.581; (4)ACD/LogD (pH 7.4): 1.582; (5)ACD/BCF (pH 5.5): 9.358; (6)ACD/BCF (pH 7.4): 9.385; (7)ACD/KOC (pH 5.5): 172.363; (8)ACD/KOC (pH 7.4): 172.858; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.34 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 46.994 cm3; (15)Molar Volume: 143.358 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 47.157 dyne/cm; (18)Density: 1.452 g/cm3; (19)Flash Point: 96.943 °C; (20)Enthalpy of Vaporization: 47.349 kJ/mol; (21)Boiling Point: 236.683 °C at 760 mmHg; (22)Vapour Pressure: 0.047 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(C(=O)C)cc1C
(2)InChI: InChI=1/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
(3)InChIKey: XOIGZLJCLDWTQH-UHFFFAOYAR

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