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| CAS No.: | 6310-19-6 |
|---|---|
| Name: | 4-(TERT-BUTYL)-2-NITROANILINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H14N2O2 |
| Molecular Weight: | 194.233 |
| Synonyms: | Aniline,4-tert-butyl-2-nitro- (6CI,8CI);2-Nitro-4-tert-butylaniline;4-tert-Butyl-2-Nitroaniline;NSC 43042; |
| EINECS: | 228-632-4 |
| Density: | 1.14 g/cm3 |
| Melting Point: | 101-104 °C |
| Boiling Point: | 302.8 °C at 760 mmHg |
| Flash Point: | 136.9 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 71.84000 |
| LogP: | 3.57890 |
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Specification
The CAS registry number of Benzenamine,4-(1,1-dimethylethyl)-2-nitro- is 6310-19-6. The IUPAC name is 4-tert-Butyl-2-nitroaniline. Its EINECS registry number is 228-632-4. In addition, the molecular formula is C10H14N2O2 and molecular weight is 194.23. It should be stored in a cool and dry place.
Physical properties of Benzenamine,4-(1,1-dimethylethyl)-2-nitro- are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.52; (3)ACD/LogD (pH 7.4): 3.52; (4)ACD/BCF (pH 5.5): 277.92; (5)ACD/BCF (pH 7.4): 277.92; (6)ACD/KOC (pH 5.5): 1954.18; (7)ACD/KOC (pH 7.4): 1954.2; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 55.42 cm3; (14)Molar Volume: 170.2 cm3; (15)Polarizability: 21.97 ×10-24cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 136.9 °C; (19)Enthalpy of Vaporization: 54.3 kJ/mol; (20)Boiling Point: 302.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000969 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. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1N)C(C)(C)C
(2)InChI: InChI=1/C10H14N2O2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,11H2,1-3H3
(3)InChIKey: YXTJXBPEGJNGKV-UHFFFAOYAQ