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| CAS No.: | 1571-65-9 |
|---|---|
| Name: | 3-Amino-4-hydroxybenzoic acid hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H8ClNO3 |
| Molecular Weight: | 189.598 |
| Synonyms: | Benzoicacid, 3-amino-4-hydroxy-, hydrochloride (7CI,8CI,9CI);3-Amino-4-hydroxybenzoicacid hydrochloride; |
| Melting Point: | 275 °C (decomp) |
| Boiling Point: | 403 °C at 760 mmHg |
| Flash Point: | 197.5 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 83.55000 |
| LogP: | 2.05580 |
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Specification
The systematic name of 3-Amino-4-hydroxybenzoic acid hydrochloride is 3-amino-4-hydroxy-benzoic acid hydrochloride. With the CAS registry number 1571-65-9, it is also named as Benzoicacid, 3-amino-4-hydroxy-, hydrochloride (7CI,8CI,9CI). The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. In addition, its molecular formula is C7H8ClNO3 and its molecular weight is 189.59.
The other characteristics of 3-Amino-4-hydroxybenzoic acid hydrochloride can be summarized as: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 83.55 Å2; (7)Flash Point: 197.5 °C; (8)Enthalpy of Vaporization: 68.99 kJ/mol; (9)Boiling Point: 403 °C at 760 mmHg; (10)Vapour Pressure: 3.23E-07 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(c(cc1C(=O)O)N)O.Cl
(2)InChI: InChI=1/C7H7NO3.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,9H,8H2,(H,10,11);1H
(3)InChIKey: WHQWETPIAIQHFZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H7NO3.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,9H,8H2,(H,10,11);1H
(5)Std. InChIKey: WHQWETPIAIQHFZ-UHFFFAOYSA-N