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| CAS No.: | 80938-67-6 |
|---|---|
| Name: | 5-PHENYL-O-TOLUIDINE |
| Molecular Structure: | |
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| Formula: | C13H13N |
| Molecular Weight: | 183.253 |
| Synonyms: | 2-Methyl-5-phenylaniline;3-Amino-4-methylbiphenyl;4-Methylbiphenyl-3-ylamine;4-Methylbiphenyl-3-amine;4-Methyl-(1,1'-biphenyl)-3-amine;4-Methyl-3-biphenylamine; |
| Density: | 1.057 g/cm3 |
| Melting Point: | 58 °C |
| Boiling Point: | 347.2 °C at 760 mmHg |
| Flash Point: | 177.7 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 3.82540 |
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Specification
This chemical is called [1,1'-Biphenyl]-3-amine,4-methyl-, and it can also be named as 3-Amino-4-methylbiphenyl. With the molecular formula of C13H13N, its molecular weight is 183.25. The CAS registry number of this chemical is 80938-67-6, and its systematic name is 4-Methylbiphenyl-3-amine.
Other characteristics of the [1,1'-Biphenyl]-3-amine,4-methyl- can be summarised as follows: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 85.43; (6)ACD/BCF (pH 7.4): 90.21; (7)ACD/KOC (pH 5.5): 826.88; (8)ACD/KOC (pH 7.4): 873.18; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 59.9 cm3; (15)Molar Volume: 173.2 cm3; (16)Polarizability: 23.74×10-24 cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 177.7 °C; (20)Enthalpy of Vaporization: 59.14 kJ/mol; (21)Boiling Point: 347.2 °C at 760 mmHg; (22)Vapour Pressure: 5.47E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. It's harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing, gloves and eye/face protection. 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: c2(c1cc(N)c(cc1)C)ccccc2
2.InChI: InChI=1/C13H13N/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3
3.InChIKey: YLKSTPDTTKOSIL-UHFFFAOYAW