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| CAS No.: | 54263-82-0 |
|---|---|
| Name: | 3-DIMETHYLAMINOBENZOYL CHLORIDE, 95 |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C9H10ClNO |
| Molecular Weight: | 183.637 |
| Synonyms: | 3-Dimethylamino-benzoyl chloride; |
| Density: | 1.193 g/cm3 |
| Boiling Point: | 275.9 °C at 760 mmHg |
| Flash Point: | 120.7 °C |
| Hazard Symbols: | R34:Causes burns.; |
| Risk Codes: | R34 |
| PSA: | 20.31000 |
| LogP: | 2.13160 |
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- Total:3 Page 1 of 1 1
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Specification
The 3-Dimethylaminobenzoyl chloride, with the CAS registry number 54263-82-0, is also known as 3-Dimethylamino-benzoyl chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C9H10ClNO and molecular weight is 183.6348. What's more, its systematic name is 3-(Dimethylamino)benzoyl chloride.
Physical properties about 3-Dimethylaminobenzoyl chloride are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.33; (6)ACD/BCF (pH 7.4): 40.56; (7)ACD/KOC (pH 5.5): 490.07; (8)ACD/KOC (pH 7.4): 492.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 50.81 cm3; (15)Molar Volume: 153.8 cm3; (16)Polarizability: 20.14×10-24 cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 120.7 °C; (20)Enthalpy of Vaporization: 51.44 kJ/mol; (21)Boiling Point: 275.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00495 mmHg at 25 °C.
Uses of 3-Dimethylaminobenzoyl chloride: it is used to produce other chemicals. For example, it is used to produce C42H51N3O2. The reaction needs reagent Et3N and solvent CH2Cl2. The reaction time is 12 hours. The yield is about 76 %.
![3-Dimethylaminobenzoyl chloride can react with N-{4-[1-(4-amino-3,5-dimethyl-phenyl)-cyclohexyl]-2,6-dimethyl-phenyl}-4-tert-butyl-benzamide to get C42H51N3O2.](/UserFilesUpload/Uses of 3-Dimethylaminobenzoyl chloride.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1cc(N(C)C)ccc1
(2) InChI: InChI=1/C9H10ClNO/c1-11(2)8-5-3-4-7(6-8)9(10)12/h3-6H,1-2H3
(3) InChIKey: CUECQYFYMGJLJD-UHFFFAOYAK