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| CAS No.: | 125756-95-8 |
|---|---|
| Name: | 4-BROMO-3-ETHOXYANILINE HYDROCHLORIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H10BrNO |
| Molecular Weight: | 216.077 |
| Synonyms: | 4-Bromo-3-ethoxyaniline;4-Bromo-3-ethoxyphenylamine;benzenamine, 4-bromo-3-ethoxy-; |
| Density: | 1.455 g/cm3 |
| Melting Point: | 186-189oC |
| Boiling Point: | 286.4 °C at 760 mmHg |
| Flash Point: | 127 °C |
| Hazard Symbols: | R22:; R36/37/38:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| Safety: | 26-36 |
| PSA: | 35.25000 |
| LogP: | 3.01120 |
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- Total:33 Page 1 of 1 1
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Specification
The Benzenamine,4-bromo-3-ethoxy-, with the CAS registry number 125756-95-8, has the systematic name of 4-bromo-3-ethoxyaniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H10BrNO.
The characteristics of Benzenamine,4-bromo-3-ethoxy- are as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.48; (6)ACD/BCF (pH 7.4): 31.8; (7)ACD/KOC (pH 5.5): 409.82; (8)ACD/KOC (pH 7.4): 414.06; (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: 1.581; (14)Molar Refractivity: 49.49 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 19.61×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 127 °C; (20)Enthalpy of Vaporization: 52.55 kJ/mol; (21)Boiling Point: 286.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00264 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(cc1OCC)N
(2)InChI: InChI=1/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
(3)InChIKey: QQAPQSYFPIYHGU-UHFFFAOYAH