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| CAS No.: | 95-03-4 |
|---|---|
| Name: | 5-Chloro-2-methoxyaniline |
| Article Data: | 32 |
| Molecular Structure: | |
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|
|
| Formula: | C7H8ClNO |
| Molecular Weight: | 157.6 |
| Synonyms: | o-Anisidine,5-chloro- (7CI,8CI);(5-Chloro-2-methoxyphenyl)amine;1-Amino-5-chloro-2-methoxybenzene;2-Amino-4-chloro-1-methoxybenzene;2-Amino-4-chloroanisole;2-Methoxy-5-chloroaniline;4-Chloro-2-aminoanisole;5-Chloro-2-methoxyaniline;5-Chloro-o-anisidine;C.I. 37120, free base;NSC6114;Tulabase Fast Red R;Tulabase Fast Red RC; |
| EINECS: | 202-385-2 |
| Density: | 1.234 g/cm3 |
| Melting Point: | 81-83 °C(lit.) |
| Boiling Point: | 259.4 °C at 760 mmHg |
| Flash Point: | 110.7 °C |
| Solubility: | soluble in alcohol and ether and volatile with steam |
| Appearance: | Off-white to tan crystalline powder or flakes |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37 |
| Transport Information: | UN 2233 |
| PSA: | 35.25000 |
| LogP: | 2.51200 |
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Specification
The IUPAC name of Benzenamine,5-chloro-2-methoxy- is 5-chloro-2-methoxyaniline. With the CAS registry number 95-03-4, it is also named as 2-Amino-4-chloroanisole. The product's categories are Intermediates of Dyes and Pigments; Anilines, Aromatic Amines and Nitro Compounds. It is off-white to tan crystalline powder or flaks which is soluble in alcohol and ether and volatile with steam. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.5; (6)ACD/BCF (pH 7.4): 21.71; (7)ACD/KOC (pH 5.5): 312.08; (8)ACD/KOC (pH 7.4): 315.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 42.06 cm3; (14)Molar Volume: 127.6 cm3; (15)Polarizability: 16.67×10-24 cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Enthalpy of Vaporization: 49.7 kJ/mol; (18)Vapour Pressure: 0.013 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 157.029442; (21)MonoIsotopic Mass: 157.029442; (22)Topological Polar Surface Area: 35.2; (23)Heavy Atom Count: 110; (24)Complexity: 110.
Preparation of Benzenamine,5-chloro-2-methoxy-: It can be obtained by the methoxylation and reduction of 2,5-dichloro-nitrobenzene.
Uses of Benzenamine,5-chloro-2-methoxy-: It is mainly used to dye cotton and print cotton cloth. And it is also used for dyeing viscose fibers, silk and nylon. It can react with methylenesuccinic acid to get 1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid. This reaction must react by heating. The yield is 65.8%.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cc(c(OC)cc1)N
2. InChI:InChI=1/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
3. InChIKey:WBSMIPLNPSCJFS-UHFFFAOYAK