-
Name
3-Amino-4-hydroxybenzoic acid hydrochloride
- EINECS
- CAS No. 1571-65-9
- Article Data2
- CAS DataBase
- Density
- Solubility
- Melting Point 275 °C (decomp)
- Formula C7H8ClNO3
- Boiling Point 403 °C at 760 mmHg
- Molecular Weight 189.598
- Flash Point 197.5 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols R36/37/38:;
- Synonyms Benzoicacid, 3-amino-4-hydroxy-, hydrochloride (7CI,8CI,9CI);3-Amino-4-hydroxybenzoicacid hydrochloride;
- PSA 83.55000
- LogP 2.05580
3-Amino-4-hydroxybenzoic acid hydrochloride 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
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