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CAS No.: | 39811-17-1 |
---|---|
Name: | 5-PHENYL-O-ANISIDINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | (4-Methoxy-1,1'-biphenyl-3-yl)amine;2-Methoxy-5-phenylaniline;3-Amino-4-methoxybiphenyl;4-Methoxy[1,1'-biphenyl]-3-amine;5-Phenyl-2-anisidine;5-Phenyl-o-anisidine; |
EINECS: | 254-639-7 |
Density: | 1.1 g/cm3 |
Melting Point: | 82-83 °C(lit.) |
Boiling Point: | 364.9 °C at 760 mmHg |
Flash Point: | 186.3 °C |
Appearance: | brown coarse powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 35.25000 |
LogP: | 3.52560 |
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The [1,1'-Biphenyl]-3-amine,4-methoxy- is an organic compound with the formula C13H13NO. The IUPAC name of this chemical is 2-methoxy-5-phenylaniline. With the CAS registry number 39811-17-1, it is also named as 4-Methoxybiphenyl-3-amine. Besides, it is a brown coarse powder, which should be stored in a closed cool and dry place.
Physical properties about [1,1'-Biphenyl]-3-amine,4-methoxy- are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 41.99; (5)ACD/BCF (pH 7.4): 44.49; (6)ACD/KOC (pH 5.5): 496.92; (7)ACD/KOC (pH 7.4): 526.43; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 61.75 cm3; (14)Molar Volume: 181 cm3; (15)Polarizability: 24.48×10-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 186.3 °C; (19)Enthalpy of Vaporization: 61.11 kJ/mol; (20)Boiling Point: 364.9 °C at 760 mmHg; (21)Vapour Pressure: 1.63E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by C20H19N3OS. This reaction will need reagent aq. KOH and solvent H2O, methanol, tetrahydrofuran. The yield is about 91%.
Uses of [1,1'-Biphenyl]-3-amine,4-methoxy-: it can be used to produce 6-[(4-methoxy-biphenyl-3-ylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine. It will need reagent K2CO3 and solvent N,N-dimethyl-acetamide with reaction time of 48 hours. The yield is about 71%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: O(c1ccc(cc1N)c2ccccc2)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(3)InChIKey: DTYBRSLINXBXMP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(5)Std. InChIKey: DTYBRSLINXBXMP-UHFFFAOYSA-N