-
Name
4-((DIFLUOROMETHYL)THIO)ANILINE
- EINECS
- CAS No. 24933-60-6
- Article Data5
- CAS DataBase
- Density 1.29 g/cm3
- Solubility
- Melting Point
- Formula C7H7F2NS
- Boiling Point 234.8 °C at 760 mmHg
- Molecular Weight 175.202
- Flash Point 95.8 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
T
- Synonyms Aniline,p-[(difluoromethyl)thio]- (8CI);4-(Difluoromethylsulfanyl)phenylamine;4-(Difluoromethylthio)aniline;p-(Difluoromethylthio)aniline;p-Aminophenyldifluoromethyl sulfide;
- PSA 51.32000
- LogP 3.16470
Benzenamine,4-[(difluoromethyl)thio]- Specification
The Benzenamine,4-[(difluoromethyl)thio]-, with the CAS registry number 24933-60-6, is also known as 4-(Difluoromethylsulfanyl)phenylamine. This chemical's molecular formula is C7H7F2NS and molecular weight is 175.20. What's more, its IUPAC name is 4-[(difluoromethyl)sulfanyl]aniline.
Physical properties of Benzenamine,4-[(difluoromethyl)thio]- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 28.54 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 43.22 cm3; (9)Molar Volume: 134.9 cm3; (10)Polarizability: 17.13×10-24cm3; (11)Surface Tension: 40.4 dyne/cm; (12)Density: 1.29 g/cm3; (13)Flash Point: 95.8 °C; (14)Enthalpy of Vaporization: 47.16 kJ/mol; (15)Boiling Point: 234.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0518 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N)SC(F)F
(2)InChI: InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
(3)InChIKey: ODJCIHKBMUREOC-UHFFFAOYSA-N
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