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| CAS No.: | 875664-27-0 |
|---|---|
| Name: | 2-BROMO-4-FLUORO-6-(TRIFLUOROMETHYL)ANILINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H4BrF4N |
| Molecular Weight: | 258.013 |
| Synonyms: | 2-BROMO-4-FLUORO-6-(TRIFLUOROMETHYL)ANILINE;BUTTPARK 154\11-38;2-Amino-3-bromo-5-fluorobenzotrifluoride, 98%;Benzenamine,2-bromo-4-fluoro-6-(trifluoromethyl)-;2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine |
| Density: | 1.772 g/cm3 |
| Boiling Point: | 212.553 °C at 760 mmHg |
| Flash Point: | 82.349 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 3.77040 |
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- Total:29 Page 1 of 1 1
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Specification
This chemical is called Benzenamine,2-bromo-4-fluoro-6-(trifluoromethyl)-, and its systematic name is 2-bromo-4-fluoro-6-(trifluoromethyl)aniline. With the molecular formula of C7H4BrF4N, its molecular weight is 258.01. The CAS registry number of this chemical is 875664-27-0. Additionally, its product categories are Anilines, Aromatic Amines and Nitro Compounds.
Other characteristics of the Benzenamine,2-bromo-4-fluoro-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.264; (4)ACD/LogD (pH 7.4): 3.264; (5)ACD/BCF (pH 5.5): 178.153; (6)ACD/BCF (pH 7.4): 178.153; (7)ACD/KOC (pH 5.5): 1421.43; (8)ACD/KOC (pH 7.4): 1421.432; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 43.153 cm3; (15)Molar Volume: 145.619 cm3; (16)Polarizability: 17.107×10-24cm3; (17)Surface Tension: 32.593 dyne/cm; (18)Density: 1.772 g/cm3; (19)Flash Point: 82.349 °C; (20)Enthalpy of Vaporization: 44.886 kJ/mol; (21)Boiling Point: 212.553 °C at 760 mmHg; (22)Vapour Pressure: 0.172 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contact with skin and if swallowed. Wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(cc(c(c1C(F)(F)F)N)Br)F
2.InChI: InChI=1/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2
3.InChIKey: OTYCOVZULSPPPW-UHFFFAOYAC