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| CAS No.: | 5580-33-6 |
|---|---|
| Name: | 3,4-DIMETHYLBENZAMIDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 3,4-Dimethylbenzamide; |
| Density: | 1.06g/cm3 |
| Melting Point: | 101-103°C |
| Boiling Point: | 251.3 °C at 760 mmHg |
| Flash Point: | 105.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 43.09000 |
| LogP: | 2.10260 |
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- Total:14 Page 1 of 1 1
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Specification
The Benzamide,3,4-dimethyl-, with CAS registry number 5580-33-6, belongs to the following product categories: (1)Amide; (2)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 3,4-dimethylbenzamide. And the chemical formula of this chemical is C9H11NO.
Physical properties of Benzamide,3,4-dimethyl-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.77; (6)ACD/BCF (pH 7.4): 10.77; (7)ACD/KOC (pH 5.5): 190.73; (8)ACD/KOC (pH 7.4): 190.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 44.83 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 105.8 °C; (20)Enthalpy of Vaporization: 48.86 kJ/mol; (21)Boiling Point: 251.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0207 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzamide,3,4-dimethyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(c(cc1)C)C)N
(2)InChI: InChI=1/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
(3)InChIKey: INGCXEIJXKQPJH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
(5)Std. InChIKey: INGCXEIJXKQPJH-UHFFFAOYSA-N