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CAS No.: | 59557-92-5 |
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Name: | 2-BROMO-5-METHOXYANILINE |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C7H8BrNO |
Molecular Weight: | 202.051 |
Synonyms: | 2-Bromo-5-methoxyaniline;2-Bromo-5-methoxyphenylamine;6-Bromo-3-methoxyaniline; |
EINECS: | 611-853-9 |
Density: | 1.532g/cm3 |
Melting Point: | 189-190°C |
Boiling Point: | 280.055 °C at 760 mmHg |
Flash Point: | 123.173 °C |
Hazard Symbols: | Xi |
PSA: | 35.25000 |
LogP: | 2.62110 |
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The Benzenamine,2-bromo-5-methoxy-, with CAS registry number 59557-92-5, belongs to the following product categories: (1)Amines; (2)Phenyls & Phenyl-Het; (3)Anilines, Amides & Amines; (4)Anisoles, Alkyloxy Compounds & Phenylacetates; (5)Bromine Compounds. It has the systematic name of 2-bromo-5-methoxyaniline. And the chemical formula of this chemical is C7H8BrNO.
Physical properties of Benzenamine,2-bromo-5-methoxy-: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.583; (4)ACD/LogD (pH 7.4): 2.583; (5)ACD/BCF (pH 5.5): 54.04; (6)ACD/BCF (pH 7.4): 54.062; (7)ACD/KOC (pH 5.5): 605.121; (8)ACD/KOC (pH 7.4): 605.366; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 44.858 cm3; (15)Molar Volume: 131.901 cm3; (16)Polarizability: 17.783×10-24cm3; (17)Surface Tension: 44.292 dyne/cm; (18)Enthalpy of Vaporization: 51.877 kJ/mol; (19)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)N)Br
(2)InChI: InChI=1/C7H8BrNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
(3)InChIKey: PRQDMSJEMCRFMI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H8BrNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
(5)Std. InChIKey: PRQDMSJEMCRFMI-UHFFFAOYSA-N