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Home> Hot Product Listed 3   > 3-Phenyl-4-anisidine
1191062-86-8 structure

3-Phenyl-4-anisidine

CAS No.:1191062-86-8
Molecular Weight:317.23400
Molecular Formula:C10H8N2O2 (isomer)
Properties
Density
1.12
Boiling Point
440.7°C at 760 mmHg
Flash Point
281.7°C
HS Code
2934999090
Safety and Handling
Specification

This chemical is called 3-Phenyl-4-anisidine, and its systematic name is 6-methoxybiphenyl-3-amine. With molecular formula of C13H13NO, its molecular weight is 199.25. In addition, the CAS registry number of this chemical is 56970-26-4. 

Other characteristics of the 3-Phenyl-4-anisidine can be summarised as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 14.6; (6)ACD/BCF (pH 7.4): 18.56; (7)ACD/KOC (pH 5.5): 221.34; (8)ACD/KOC (pH 7.4): 281.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 24.48×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 166.2 °C; (20)Enthalpy of Vaporization: 58.37 kJ/mol; (21)Boiling Point: 340.1 °C at 760 mmHg; (22)Vapour Pressure: 8.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O(c2ccc(cc2c1ccccc1)N)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(3)InChIKey: OFBRKDXLBOTZNB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(5)Std. InChIKey: OFBRKDXLBOTZNB-UHFFFAOYSA-N

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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