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| CAS No.: | 137-04-2 |
|---|---|
| Name: | 2-CHLOROANILINE HYDROCHLORIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H7Cl2N |
| Molecular Weight: | 164.034 |
| Synonyms: | Aniline,o-chloro-, hydrochloride (8CI);Benzenamine, 2-chloro-, hydrochloride (9CI);2-Chloroaniline hydrochloride;2-Chloroanilinium chloride;Amarthol Fast YellowGC Base;Amarthol Fast Yellow GC Salt;Ansibases Yellow GC;Azoene Fast YellowGC Base;Azoene Fast Yellow GC Salt;Daito Yellow Base GC;Daito Yellow SaltGC;Fast Yellow Base GC;Fast Yellow Base JS;Fast Yellow MC;Fast Yellow OCBase;Fast Yellow OC Salt;Fast Yellow Salt GC;Fast Yellow Salt JS;HiltonilFast Yellow GC Base;Hiltosal Fast Yellow GC Salt;Hindasol Yellow GC Salt;Kako Yellow GC Base;Mitsui Yellow GC Base;Naphtoelan Fast Yellow GC Base;Naphtoelan Fast Yellow GC Salt;Natasol Fast Yellow GC Salt;Sanyo Fast YellowGC Base;Sanyo Fast Yellow Salt GC;Spectrolene Orange HD;Yellow Base NGC;Yellow GC Salt;o-Chloroaniline hydrochloride; |
| EINECS: | 205-274-7 |
| Density: | 1.5050 |
| Melting Point: | 220 °C (subl.) |
| Boiling Point: | 208.8 °C at 760 mmHg |
| Flash Point: | 97.8 °C |
| Solubility: | It is soluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 23/24/25-33-50/53 |
| Safety: | 28-36/37-45-60-61 |
| PSA: | 26.02000 |
| LogP: | 3.30540 |
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- Total:36 Page 1 of 1 1
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Specification
The Benzenamine, 2-chloro-,hydrochloride (1:1) is an organic compound with the formula C6H7Cl2N. The IUPAC name of this chemical is 2-chloroaniline hydrochloride. With the CAS registry number 137-04-2, it is also named as 2-Chloroanilinium chloride.
Physical properties about Benzenamine, 2-chloro-,hydrochloride (1:1) are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.62; (5)ACD/BCF (pH 7.4): 16.64; (6)ACD/KOC (pH 5.5): 260.11; (7)ACD/KOC (pH 7.4): 260.48; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Flash Point: 97.8 °C; (13)Enthalpy of Vaporization: 44.51 kJ/mol; (14)Boiling Point: 208.8 °C at 760 mmHg; (15)Vapour Pressure: 0.209 mmHg at 25°C.
Uses of Benzenamine, 2-chloro-,hydrochloride (1:1): it can be used to produce (2-chloro-phenyl)-(9H-purin-6-yl)-amine at temperature of 150 °C. It will need reagent P2O5, N,N-dimethylcyclohexylamine with reaction time of 24 hours. The yield is about 56%.
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When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed and danger of cumulative effects. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). Besides, this chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccccc1N
(2)InChI: InChI=1/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
(3)InChIKey: DRGIDRZFKRLQTE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
(5)Std. InChIKey: DRGIDRZFKRLQTE-UHFFFAOYSA-N