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| CAS No.: | 85006-21-9 |
|---|---|
| Name: | 2-Chloro-5-methoxyaniline hydrochloride |
| Molecular Structure: | |
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| Formula: | C7H8ClNO.HCl |
| Molecular Weight: | 194.061 |
| Synonyms: | Benzenamine,2-chloro-5-methoxy-, hydrochloride (9CI);2-Chloro-5-methoxyanilinehydrochloride;6-Chloro-m-anisidine hydrochloride; |
| EINECS: | 285-050-3 |
| Melting Point: | 207 °C (dec.)(lit.) |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 108 °C |
| Appearance: | off-white to yellow to grey-brown powder |
| Hazard Symbols: |
 Xi;  Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-37/39-36/37 |
| PSA: | 35.25000 |
| LogP: | 3.31400 |
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Specification
The Benzenamine,2-chloro-5-methoxy-, hydrochloride (1:1), with CAS registry number 85006-21-9, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Chlorine Compounds. It has the systematic name of 2-chloro-5-methoxyaniline hydrochloride. This chemical is a kind of off-white to yellow to grey-brown powder. What's more, its EINECS is 285-050-3.
Physical properties of Benzenamine,2-chloro-5-methoxy-, hydrochloride (1:1): (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.33; (6)ACD/BCF (pH 7.4): 16.34; (7)ACD/KOC (pH 5.5): 256.96; (8)ACD/KOC (pH 7.4): 257.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Enthalpy of Vaporization: 49.24 kJ/mol; (14)Vapour Pressure: 0.0168 mmHg at 25°C.
Uses of Benzenamine,2-chloro-5-methoxy-, hydrochloride (1:1): it can be used to produce 4-amino-5-chloro-2-methoxyphenyl thiocyanate. This reaction will need reagent bromine, TEA and solvent methanol. The reaction time is 2 hour(s). The yield is about 56%.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-chloro-5-methoxy-, hydrochloride (1:1) irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC)cc1N.Cl
(2)InChI: InChI=1/C7H8ClNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
(3)InChIKey: NQWBPXKJBZYGHZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H8ClNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
(5)Std. InChIKey: NQWBPXKJBZYGHZ-UHFFFAOYSA-N