3-Dimethylaminobenzoyl chloride supplier

Name
3-DIMETHYLAMINOBENZOYL CHLORIDE, 95
EINECS
CAS No. 54263-82-0
Article Data20
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point
Formula C₉H₁₀ClNO
Boiling Point 275.9 °C at 760 mmHg
Molecular Weight 183.637
Flash Point 120.7 °C
Transport Information
Appearance
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 3-Dimethylamino-benzoyl chloride;
PSA 20.31000
LogP 2.13160

3-Dimethylaminobenzoyl chloride 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.

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

Product Name

3-DIMETHYLAMINOBENZOYL CHLORIDE, 95

3-Dimethylaminobenzoyl chloride Specification

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