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3,4-Diaminobenzotrifluoride

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Name

3,4-Diaminobenzotrifluoride

EINECS N/A
CAS No. 368-71-8 Density 1.381 g/cm3
PSA 52.04000 LogP 3.03220
Solubility Miscible with water. Melting Point 56-58 °C
Formula C7H7F3N2 Boiling Point 252.7 °C at 760 mmHg
Molecular Weight 176.141 Flash Point 111.1 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 368-71-8 (3,4-DIAMINOBENZOTRIFLUORIDE) Hazard Symbols HarmfulXn
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;

Article Data 27

3,4-Diaminobenzotrifluoride Chemical Properties

 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

3,4-Diaminobenzotrifluoride Uses

 3,4-Diaminobenzotrifluoride (368-71-8) is commonly used as pharmaceutical intermediate.

3,4-Diaminobenzotrifluoride Safety Profile

Hazard Codes:  Xn,Xi
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

3,4-Diaminobenzotrifluoride 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)

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