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| CAS No.: | 618-49-5 |
|---|---|
| Name: | 3-HYDROXYBENZAMIDE |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C7H7NO2 |
| Molecular Weight: | 137.138 |
| Synonyms: | Benzamide,m-hydroxy- (6CI,7CI,8CI);3-Hydroxybenzamide;3-Hydroxybenzenecarboxamide;NSC379289;SR 4267;m-Hydroxybenzamide; |
| Density: | 1.286 g/cm3 |
| Melting Point: | 170 °C |
| Boiling Point: | 318.3 °C at 760 mmHg |
| Flash Point: | 146.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 63.32000 |
| LogP: | 1.19140 |
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- Total:22 Page 1 of 1 1
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Specification
The Benzamide, 3-hydroxy-, with the CAS registry number of 618-49-5, is also known as m-Hydroxybenzamide and Benzamide, 3-hydroxy- (9CI). It belongs to the product categories of Amide; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C7H7NO2 and molecular weight is 137.14. What's more, its IUPAC name is 3-Hydroxybenzamide.
Physical properties about Benzamide, 3-hydroxy- are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.82; (8)ACD/KOC (pH 7.4): 38.17; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 37.06 cm3; (15)Molar Volume: 106.5 cm3; (16)Polarizability: 14.69×10-24 cm3; (17)Surface Tension: 60.1 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 58.21 kJ/mol; (21)Boiling Point: 318.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000195 mmHg at 25 °C.
Preparation: this chemical is prepared by 3-Hydroxy-benzonitrile. The reaction needs reagents Sodium perborate tetrahydrate and Water. The reaction temperature is 50 °C. The yield is about 56 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 3-Acetoxy-benzoic acid amide.This reaction needs reagent Pyridine. Other condition of this reaction is reaction time of 4 hours at 0 °C. The yield is about 58 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(O)ccc1)N
(2) InChI: InChI=1/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
(3) InChIKey: NGMMGKYJUWYIIG-UHFFFAOYAR