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CAS No.: | 320-50-3 |
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Name: | 2,5-Dichlorobenzotrifluoride |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H3Cl2F3 |
Molecular Weight: | 215.002 |
Synonyms: | Toluene,2,5-dichloro-a,a,a-trifluoro- (6CI,7CI,8CI);1,4-Dichloro-2-(trifluoromethyl)benzene;2,5-Dichloro-a,a,a-trifluorotoluene;NSC 60712; |
EINECS: | 206-276-0 |
Density: | 1.464 g/cm3 |
Boiling Point: | 180 °C at 760 mmHg |
Flash Point: | 70.7 °C |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | C; Xi |
Risk Codes: | 34 |
Safety: | 26-27-36/37/39-45 |
Transport Information: | UN 1760 8/PG 2 |
PSA: | 0.00000 |
LogP: | 4.01220 |
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The Benzene,1,4-dichloro-2-(trifluoromethyl)-, with CAS registry number 320-50-3, belongs to the following product categories: (1)Chlorine Compounds; (2)Fluorine Compounds. It has the systematic name of 1,4-dichloro-2-(trifluoromethyl)benzene. This chemical is a kind of clear colourless to light yellow liquid. What's more, its EINECS is 206-276-0.
Physical properties of Benzene,1,4-dichloro-2-(trifluoromethyl)-: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 986.24; (6)ACD/BCF (pH 7.4): 986.24; (7)ACD/KOC (pH 5.5): 4838.3; (8)ACD/KOC (pH 7.4): 4838.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Enthalpy of Vaporization: 39.92 kJ/mol; (19)Vapour Pressure: 1.24 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 1,2-dichloro-4-trifluoromethyl-benzene, 2,5-dichlorobenzotrifluoride, 1,3-dichloro-5-(trifluoromethyl)benzene, 1,2-dichloro-3-(trifluoromethyl)benzene and 1-chloro-3-trifluoromethyl-benzene. This reaction will need reagent Cl2. The reaction temperature is 80 ℃. The yield is about31.7%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1,4-dichloro-2-(trifluoromethyl)- may cause burns. 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. After using it, take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(Cl)ccc1Cl
(2)InChI: InChI=1/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(3)InChIKey: DYBYUWVMLBBEMA-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(5)Std. InChIKey: DYBYUWVMLBBEMA-UHFFFAOYSA-N
The toxicity data is as follows:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source rat LD50 oral 3160uL/kg (3.16mL/kg) BEHAVIORAL: ATAXIA
BEHAVIORAL: COMA
LUNGS, THORAX, OR RESPIRATION: DYSPNEANational Technical Information Service. Vol. OTS0537034,