4-(tert-Butyl)benzene-1,2-diamine supplier

Name
4-(TERT-BUTYL)-1,2-DIAMINOBENZENE
EINECS
CAS No. 68176-57-8
Article Data3
CAS DataBase
Density 1.022 g/cm³
Solubility
Melting Point 98 °C
Formula C₁₀H₁₆N₂
Boiling Point 290.5 °C at 760 mmHg
Molecular Weight 164.25
Flash Point 153 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 4-tert-Butyl-1,2-diaminobenzene;4-tert-Butyl-1,2-phenylenediamine;4-tert-Butylbenzene-1,2-diamine;NSC 313170;4-(tert-Butyl)-1,2-diaminobenzene;
PSA 52.04000
LogP 3.31090

4-(tert-Butyl)benzene-1,2-diamine Specification

The 1,2-Benzenediamine,4-(1,1-dimethylethyl)-, with the CAS registry number 68176-57-8, is also known as 4-tert-Butyl-1,2-diaminobenzene. This chemical's molecular formula is C₁₀H₁₆N₂ and formula weight is 164.25. What's more, its IUPAC name is 4-tert-butylbenzene-1,2-diamine.

Physical properties of 1,2-Benzenediamine,4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/BCF (pH 5.5): 10.73; (5)ACD/BCF (pH 7.4): 12.36; (6)ACD/KOC (pH 5.5): 182.7; (7)ACD/KOC (pH 7.4): 210.46; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 53.11 cm³; (14)Molar Volume: 160.6 cm³; (15)Surface Tension: 41.1 dyne/cm ; (16)Density: 1.022 g/cm³; (17)Flash Point: 153 °C; (18)Enthalpy of Vaporization: 52.99 kJ/mol; (19)Boiling Point: 290.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00207 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(cc1N)C(C)(C)C
(2)InChI: InChI=1S/C10H16N2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,11-12H2,1-3H3
(3)InChIKey: WLOSFXSXVXTKBU-UHFFFAOYSA-N

Product Name

4-(TERT-BUTYL)-1,2-DIAMINOBENZENE

4-(tert-Butyl)benzene-1,2-diamine Specification

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