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CAS No.: | 3828-49-7 |
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Name: | 2,3-Difluorotoluene |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H6F2 |
Molecular Weight: | 128.121 |
Synonyms: | Toluene,2,3-difluoro- (6CI,8CI);1,2-Difluor-3-methylbenzol;1,2-Difluoro-3-methylbenzene;Difluorotoluene; |
EINECS: | -0 |
Density: | 1.122 g/cm3 |
Boiling Point: | 124.4 °C at 760 mmHg |
Flash Point: | 20 °C |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | Xn,F |
Risk Codes: | 10-22-37/38-41 |
Safety: | 16-26-39 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 0.00000 |
LogP: | 2.27320 |
The Benzene,1,2-difluoro-3-methyl-, with the CAS registry number 3828-49-7, is also known as 1,2-Difluor-3-methylbenzol. It belongs to the product categories of Fluorin-contained toluene series; Fluorobenzene; Halogen toluene; Miscellaneous; Aryl; C7; Halogenated Hydrocarbons. This chemical's molecular formula is C7H6F2 and molecular weight is 128.12. What's more, its systematic name is 1,2-difluoro-3-methylbenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.
Physical properties of Benzene,1,2-difluoro-3-methyl- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.43; (6)ACD/BCF (pH 7.4): 65.43; (7)ACD/KOC (pH 5.5): 693.96; (8)ACD/KOC (pH 7.4): 693.96; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 31.06 cm3; (11)Molar Volume: 114.1 cm3; (12)Polarizability: 12.31×10-24cm3; (13)Surface Tension: 26.5 dyne/cm; (14)Density: 1.122 g/cm3; (15)Flash Point: 20 °C; (16)Enthalpy of Vaporization: 34.73 kJ/mol; (17)Boiling Point: 124.4 °C at 760 mmHg; (18)Vapour Pressure: 15.4 mmHg at 25°C.
Uses of Benzene,1,2-difluoro-3-methyl-: it can be used to produce 2,3-difluoro-toluene at the temperature of 600 °C. The yield is about 32%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to respiratory system and skin. It is harmful if swallowed. It has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cccc1F)C
(2)Std. InChI: InChI=1S/C7H6F2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
(3)Std. InChIKey: ZNEHIDGAPGVZSA-UHFFFAOYSA-N