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| CAS No.: | 85893-87-4 |
|---|---|
| Name: | Benzenamine, 2-chloro-3-methoxy-, hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H8ClNO.HCl |
| Molecular Weight: | 194.06 |
| Synonyms: | Benzenamine,2-chloro-3-methoxy-, hydrochloride (9CI); |
| EINECS: | 1312995-182-4 |
| Boiling Point: | 287.3 °C at 760 mmHg |
| Flash Point: | 127.5 °C |
| PSA: | 35.25000 |
| LogP: | 3.31400 |
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- Total:33 Page 1 of 1 1
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Specification
The 2-Chloro-3-methoxyaniline hydrochloride, with the CAS registry number 85893-87-4, is also known as Benzenamine, 2-chloro-3-methoxy-, hydrochloride (1:1). It belongs to the product categories of Drug Intermediates; Naphthyridine,Quinoline. This chemical's molecular formula is C7H8ClNO.HCl and molecular weight is 194.06.
Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.25 Å2; (9)Flash Point: 127.5 °C; (10)Enthalpy of Vaporization: 53.7 kJ/mol; (11)Boiling Point: 287.3 °C at 760 mmHg; (12)Vapour Pressure: 0.00191 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1Cl)N.Cl
(2)InChI: InChI=1/C7H8ClNO.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4H,9H2,1H3;1H
(3)InChIKey: FFLQWMDYINEUQC-UHFFFAOYAW