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| CAS No.: | 875664-41-8 |
|---|---|
| Name: | 3-BROMO-4,5-DIFLUOROANILINE |
| Molecular Structure: | |
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| Formula: | C6H4BrF2N |
| Molecular Weight: | 208.005 |
| Synonyms: | 3-BROMO-4,5-DIFLUOROANILINE;3-Bromo-4,5-difluoroaniline 98%;3-Bromo-4,5-difluoroaniline98% |
| Density: | 1.788g/cm3 |
| Melting Point: | 66-69 °C |
| Boiling Point: | 252.8 °C at 760 mmHg |
| Flash Point: | 106.7 °C |
| Hazard Symbols: | Xi,Xn |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 9-26-36/37 |
| PSA: | 26.02000 |
| LogP: | 2.89070 |
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- Total:33 Page 1 of 1 1
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Specification
This chemical is called Benzenamine,3-bromo-4,5-difluoro-, and its systematic name is 3-Bromo-4,5-difluoro-aniline. With the molecular formula of C6H4BrF2N, its molecular weight is 208. The CAS registry number of this chemical is 875664-41-8. Additionally, its product categories are Anilines, Aromatic Amines and Nitro Compounds.
Other characteristics of the Benzenamine,3-bromo-4,5-difluoro- can be summarised as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58 ; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.02 Å2; (9)Index of Refraction: 1.57; (10)Molar Refractivity: 38.16 cm3; (11)Molar Volume: 116.3 cm3; (12)Polarizability: 15.13×10-24cm3; (13)Surface Tension: 42.9 dyne/cm; (14)Density: 1.788 g/cm3; (15)Flash Point: 106.7 °C; (16)Enthalpy of Vaporization: 49.01 kJ/mol; (17)Boiling Point: 252.8 °C at 760 mmHg; (18)Vapour Pressure: 0.019 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 and gloves if you use it. Keep the container in a well-ventilated place. 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: Fc1cc(N)cc(Br)c1F
2.InChI: InChI=1/C6H4BrF2N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
3.InChIKey: GYPOUGZGHDSUKH-UHFFFAOYAY