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CAS No.: | 59557-91-4 |
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Name: | 4-BROMO-2-METHOXY-PHENYLAMINE |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C7H8BrNO |
Molecular Weight: | 202.051 |
Synonyms: | o-Anisidine,4-bromo- (6CI);2-Amino-5-bromoanisole;2-Methoxy-4-bromoaniline;4-Bromo-2-methoxyaniline;4-Bromo-2-methoxyphenylamine;4-Bromo-o-anisidine; |
EINECS: | 200-002-4 |
Density: | 1.531 g/cm3 |
Melting Point: | 59 °C |
Boiling Point: | 250.4 °C at 760 mmHg |
Flash Point: | 105.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-43-52 |
Safety: | 36/37 |
Transport Information: | UN2811 |
PSA: | 35.25000 |
LogP: | 2.62110 |
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This chemical is called Benzenamine,4-bromo-2-methoxy-, and its systematic name is 4-bromo-2-methoxyaniline. With the molecular formula of C7H8BrNO, its molecular weight is 202.05. The CAS registry number of this chemical is 59557-91-4. Additionally, its product category is Aniline.
Other characteristics of the Benzenamine,4-bromo-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 33.78; (6)ACD/BCF (pH 7.4): 34.49; (7)ACD/KOC (pH 5.5): 429.71; (8)ACD/KOC (pH 7.4): 438.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 44.85 cm3; (15)Molar Volume: 131.9 cm3; (16)Polarizability: 17.78×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.531 g/cm3; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 48.76 kJ/mol; (21)Boiling Point: 250.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0218 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(OC)c(N)cc1
2.InChI: InChI=1/C7H8BrNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
3.InChIKey: WRFYIYOXJWKONR-UHFFFAOYAZ