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| CAS No.: | 54337-90-5 |
|---|---|
| Name: | 3,4-DIHYDROXYBENZAMIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | 3,4-Dihydroxybenzamide;4-Carbamoyl-1,2-benzenediol; |
| Density: | 1.458 g/cm3 |
| Melting Point: | 154-156 °C |
| Boiling Point: | 349.7 °C at 760 mmHg |
| Flash Point: | 165.3 °C |
| Appearance: | White crystal powder |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45 |
| PSA: | 83.55000 |
| LogP: | 0.89700 |
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- Total:28 Page 1 of 1 1
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Specification
The 3,4-Dihydroxybenzamide is an organic compound with the formula C7H7NO3. The IUPAC name of this chemical is 3,4-dihydroxybenzamide. With the CAS registry number 54337-90-5, it is also named as benzamide, 3,4-dihydroxy-.
Physical properties about 3,4-Dihydroxybenzamide are: (1)ACD/LogP: 0.03; (2)ACD/LogD (pH 5.5): 0.03; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.81; (7)ACD/KOC (pH 7.4): 21.64; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 38.94 cm3; (14)Molar Volume: 104.9 cm3; (15)Polarizability: 15.43×10-24cm3; (16)Surface Tension: 77.7 dyne/cm; (17)Density: 1.458 g/cm3; (18)Flash Point: 165.3 °C; (19)Enthalpy of Vaporization: 61.77 kJ/mol; (20)Boiling Point: 349.7 °C at 760 mmHg; (21)Vapour Pressure: 2.28E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(O)c(O)cc1)N
(2)InChI: InChI=1/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)
(3)InChIKey: GNWREYFHYLIYJE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)
(5)Std. InChIKey: GNWREYFHYLIYJE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 800mg/kg (800mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976. |