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| CAS No.: | 113170-72-2 |
|---|---|
| Name: | 3-BROMO-4,5-DIAMINOBENZOTRIFLUORIDE |
| Molecular Structure: | |
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| Formula: | C7H6BrF3N2 |
| Molecular Weight: | 255.037 |
| Synonyms: | 1,2-Diamino-3-bromo-5-(trifluoromethyl)benzene;1-Bromo-2,3-diamino-5-trifluoromethylbenzene;3-Bromo-4,5-diaminobenzotrifluoride;3-Bromo-5-(trifluoromethyl)-1,2-diaminobenzene;3-Bromo-5-trifluoromethyl-1,2-benzenediamine; |
| Density: | 1.774 g/cm3 |
| Melting Point: | 60-64 °C |
| Boiling Point: | 273.9 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Appearance: | white to pinkish-brown powder |
| Hazard Symbols: |
 Xn,  T
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 52.04000 |
| LogP: | 3.79470 |
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Specification
The 1, 2-Benzenediamine, 3-bromo-5-(trifluoromethyl)-, with the CAS registry number of 113170-72-2, is also known as 2-Amino-3-bromo-5-(trifluoromethyl)phenylamine. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C7H6BrF3N2 and molecular weight is 255.04. What's more, its IUPAC name is 3-Bromo-5-(trifluoromethyl)benzene-1, 2-diamine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant.
Physical properties about 1, 2-Benzenediamine,3-bromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 47.39 cm3; (9)Molar Volume: 143.6 cm3; (10)Surface Tension: 42.3 dyne/cm; (11)Density: 1.774 g/cm3; (12)Flash Point: 119.5 °C; (13)Enthalpy of Vaporization: 51.23 kJ/mol; (14)Boiling Point: 273.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00557 mmHg at 25 °C.
Uses of 1, 2-Benzenediamine,3-bromo-5-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 5-Bromo-7-trifluoromethyl-1, 4-dihydro-quinoxaline-2, 3-dione by heating. The reaction time is 6 hours. The yield is about 62 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(cc(N)c1N)C(F)(F)F
(2) InChI: InChI=1/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
(3) InChIKey: OVGAPUVMLZWQQF-UHFFFAOYAP