-
Name
4-(2,2-Difluorocyclopropyl)-toluene
- EINECS
- CAS No. 54672-44-5
- Article Data6
- CAS DataBase
- Density 1.13 g/cm3
- Solubility
- Melting Point
- Formula C10H10F2
- Boiling Point 206.2 °C at 760 mmHg
- Molecular Weight 168.186
- Flash Point 63.2 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(2,2-Difluorocyclopropyl)-4-methyl-benzene;
- PSA 0.00000
- LogP 3.11760
4-(2,2-Difluorocyclopropyl)-toluene Specification
The 4-(2,2-Difluorocyclopropyl)-toluene, with the CAS registry number 54672-44-5, is also known as Benzene, 1-(2,2-difluorocyclopropyl)-4-methyl-. This chemical's molecular formula is C10H10F2 and molecular weight is 168.18. What's more, its systematic name is called 1-(2,2-Difluorocyclopropyl)-4-methyl-benzene.
Physical properties about 4-(2,2-Difluorocyclopropyl)-toluene are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.498; (10)Molar Refractivity: 43.44 cm3; (11)Molar Volume: 148 cm3; (12)Surface Tension: 29.5 dyne/cm; (13)Density: 1.13 g/cm3; (14)Flash Point: 63.2 °C; (15)Enthalpy of Vaporization: 42.44 kJ/mol; (16)Boiling Point: 206.2 °C at 760 mmHg; (17)Vapour Pressure: 0.345 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)C2CC2(F)F
(2) InChI: InChI=1/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3
(3) InChIKey: VCYGRUJYOJHIQL-UHFFFAOYAJ
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