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| CAS No.: | 368-71-8 |
|---|---|
| Name: | 3,4-DIAMINOBENZOTRIFLUORIDE |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C7H7F3N2 |
| Molecular Weight: | 176.141 |
| Synonyms: | Toluene-3,4-diamine,a,a,a-trifluoro- (6CI,8CI);1,2-Diamino-4-(trifluoromethyl)benzene;2-Amino-4-(trifluoromethyl)aniline;2-Amino-5-(trifluoromethyl)aniline;4-(Trifluoromethyl)-1,2-phenylenediamine;4-(Trifluoromethyl)-o-phenylenediamine;4-Trifluoromethyl-1,2-benzenediamine;4-Trifluoromethyl-1,2-diaminobenzene; |
| Density: | 1.381 g/cm3 |
| Melting Point: | 56-58 °C |
| Boiling Point: | 252.7 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Solubility: | Miscible with water. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 52.04000 |
| LogP: | 3.03220 |
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Chemistry
3,4-Diaminobenzotrifluoride (368-71-8) is also named as BUTTPARK 51\01-88 ; 4-(Trifluoromethyl)-1,2-phenylenediamine ; 4-(Trifluoromethyl)-o-phenylenediamine ; 4-(Trifluoromethy)benzene-1,2-diamine ; 3,4-Diaminobenzotrifluoride ; 3,4-Diaminotrifluoromethylbenzene ; 4-(Trifluoromethyl)-1,2-benzenediamine;Benzene-1,2-diamine, 4-trifluoromethyl- ; ZINC00092915 ; 4-Trifluoromethyl-o-phenylenediamine ; CID520822 ; 4-Trifluoromethyl-1,2-phenylenediamine ; BBV-5096640 ,and so on. 3,4-Diaminobenzotrifluoride (368-71-8) is white to light yellow crystal powder.
IUPAC Name: 4-(Trifluoromethyl)benzene-1,2-diamine
CAS: 368-71-8
Molecular Formula: C7H7F3N2
Molecular Weight: 176.14
Molecular structure:
ACD/LogD (pH 5.5): 1.95
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 5.5): 17.75
ACD/BCF (pH 7.4): 17.81
ACD/KOC (pH 5.5): 272.51
ACD/KOC (pH 7.4): 273.42
H bond acceptors: 2
H bond donors: 4
Freely Rotating Bonds: 2
Index of Refraction: 1.535
Molar Refractivity: 39.7 cm3
Molar Volume: 127.5 cm3
Polarizability: 15.74 10-24cm3
Surface Tension: 37.7 dyne/cm
Density: 1.381 g/cm3
Flash Point: 111.1 °C
Enthalpy of Vaporization: 49.01 kJ/mol
Boiling Point: 252.7 °C at 760 mmHg
Vapour Pressure: 0.019 mmHg at 25°C
Melting point: 56-58 °C
BRN: 909258
Uses
3,4-Diaminobenzotrifluoride (368-71-8) is commonly used as pharmaceutical intermediate.
Safety Profile
Hazard Codes: Xn,Xi .gif){kind=small}
Risk Statements: 36/37/38-20/21/22 (36/37/38: Irritating to eyes, respiratory system and skin 20/21/22: Harmful by inhalation, in contact with skin and if swallowed)
Safety Statements: 36/37/39-26 (36/37/39: Wear suitable protective clothing, gloves and eye/face protection 26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
Hazard Note: Harmful/Irritant
Specification
Removal in wastewater treatment of 3,4-Diaminobenzotrifluoride (368-71-8) can be stated as follows:
Total removal:1.90 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.81 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)