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| CAS No.: | 178671-97-1 |
|---|---|
| Name: | 4-Fluoro-2-methoxyaniline hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C7H8FNO.ClH |
| Molecular Weight: | 177.606 |
| Synonyms: | Benzenamine,4-fluoro-2-methoxy-, hydrochloride (9CI); |
| Boiling Point: | 247.4 °C at 760 mmHg |
| Flash Point: | 103.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 35.25000 |
| LogP: | 2.79970 |
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Specification
The Benzenamine,4-fluoro-2-methoxy-, hydrochloride (1:1), with its CAS registry number 178671-97-1, has its systematic name of 4-fluoro-2-methoxyaniline hydrochloride (1:1). With its molecular formula of C7H8FNO.ClH and molecular weight of 177.60, it belongs to the product categories of Amines; Blocks. In addition, it is irritant which many cause damage to our body.
Physical properties of Benzenamine,4-fluoro-2-methoxy-, hydrochloride (1:1): (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 5.62; (6)ACD/BCF (pH 7.4): 6.31; (7)ACD/KOC (pH 5.5): 115.78; (8)ACD/KOC (pH 7.4): 130.04; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.25 Å2; (13)Flash Point: 103.4 °C; (14)Enthalpy of Vaporization: 49.44 kJ/mol; (15)Boiling Point: 247.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0205 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.Nc1ccc(F)cc1OC
(2)InChI:InChI=1/C7H8FNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H
(3)InChIKey:MHQFRPFBJOEPGE-UHFFFAOYAP