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| CAS No.: | 14206-69-0 |
|---|---|
| Name: | 3-Amino-5-hydroxybenzoic acid hydrochloride |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H8ClNO3 |
| Molecular Weight: | 189.598 |
| Synonyms: | Benzoicacid, 3-amino-5-hydroxy-, hydrochloride (8CI,9CI);3-Amino-5-hydroxybenzoicacid hydrochloride; |
| Melting Point: | 269-272 °C (decomp) |
| Boiling Point: | 453.4 °C at 760 mmHg |
| Flash Point: | 228 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | Harmful:; ">  Harmful:; |
| Safety: | 22-26-36/37/39 |
| PSA: | 83.55000 |
| LogP: | 2.05580 |
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Specification
The Benzoic acid, 3-amino-5-hydroxy-, hydrochloride (1:1), with the CAS registry number 14206-69-0, is also known as 3-Amino-5-hydroxybenzoic acid hydrochloride (1:1). This chemical's molecular formula is C7H8ClNO3 and molecular weight is 189.59632. What's more, its systematic name is 3-Carboxy-5-hydroxyanilinium chloride.
Physical properties about Benzoic acid, 3-amino-5-hydroxy-, hydrochloride (1:1) are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Flash Point: 228 °C; (14)Enthalpy of Vaporization: 75.11 kJ/mol; (15)Boiling Point: 453.4 °C at 760 mmHg; (16)Vapour Pressure: 5.2E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(O)c1cc(O)cc(c1)[NH3+]
(2) InChI: InChI=1/C7H7NO3.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3,9H,8H2,(H,10,11);1H
(3) InChIKey: CXESTILCPSBCGQ-UHFFFAOYAY