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| CAS No.: | 51-81-0 |
|---|---|
| Name: | 3-Aminophenol hydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H8ClNO |
| Molecular Weight: | 145.589 |
| Synonyms: | m-Aminophenol HCl;3-hydroxyaniliniumchloride;m-Aminophenol hydrochloride;3-AminophenolHCl; |
| EINECS: | 200-125-2 |
| Melting Point: | 228 °C |
| Boiling Point: | 298.6 °C at 760 mmHg |
| Flash Point: | 116.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 46.25000 |
| LogP: | 2.35760 |
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- Total:23 Page 1 of 1 1
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Specification
The CAS register number of 3-Aminophenol hydrochloride is 51-81-0. It also can be called as m-Aminophenol HCl and the systematic name about this chemical is 3-hydroxyanilinium chloride. The molecular formula about this chemical is C6H8ClNO and the molecular weight is 145.59.
Physical properties about 3-Aminophenol hydrochloride are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): 0.34; (4)ACD/BCF (pH 5.5): 1.01; (5)ACD/BCF (pH 7.4): 1.06; (6)ACD/KOC (pH 5.5): 34.64; (7)ACD/KOC (pH 7.4): 36.34; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Flash Point: 116.4 °C; (13)Enthalpy of Vaporization: 56 kJ/mol; (14)Boiling Point: 298.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000709 mmHg at 25 °C.
Uses of 3-Aminophenol hydrochloride: it can be used to produce N-(3-hydroxy-phenyl)-N'-(2-methyl-4-nitro-phenyl)-guanidine with C8H7N3O2. This reaction will need solvent of chlorobenzene. This reaction needs heating. The yield is about 58%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: [Cl-].Oc1cccc(c1)[NH3+]
(2)InChI: InChI=1/C6H7NO.ClH/c7-5-2-1-3-6(8)4-5;/h1-4,8H,7H2;1H
(3)InChIKey: DCBCSMXGLXAXDM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H7NO.ClH/c7-5-2-1-3-6(8)4-5;/h1-4,8H,7H2;1H
(5)Std. InChIKey: DCBCSMXGLXAXDM-UHFFFAOYSA-N