CAS No.4755-50-4,4-DIMETHYLAMINOBENZOYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4755-50-4
Name:	4-DIMETHYLAMINOBENZOYL CHLORIDE
Article Data:	81

Formula:	C₉H₁₀ClNO
Molecular Weight:	183.637
Synonyms:	Benzoylchloride, p-(dimethylamino)- (6CI,7CI,8CI);4-(Dimethylamino)benzoic acidchloride;4-(Dimethylamino)benzoyl chloride;4-(N,N-Dimethylamino)benzoylchloride;p-(Dimethylamino)benzoyl chloride;
Density:	1.193 g/cm³
Melting Point:	145-149 °C(lit.)
Boiling Point:	279 °C at 760 mmHg
Flash Point:	122.5 °C
Solubility:	Reacts with water.
Appearance:	White to tan crystalline powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	20.31000
LogP:	2.13160

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Specification

The Benzoyl chloride,4-(dimethylamino)- is an organic compound with the formula C₉H₁₀ClNO. The IUPAC name of this chemical is 4-(dimethylamino)benzoyl chloride. With the CAS registry number 4755-50-4, it is also named as 4-Dimethylaminobenzoyl chloride. The product's categories are Carbonyl Chlorides; Phenyls & Phenyl-Het; Carbonyl Chlorides; Phenyls & Phenyl-Het; Acid Halides; Carbonyl Compounds; Organic Building Blocks. Besides, it is a white to tan crystalline powder, which should be stored in a dark cool and well-ventilated place. It is used as fine chemicals and pharmaceutical intermediates.

Physical properties about Benzoyl chloride,4-(dimethylamino)- are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.37; (5)ACD/BCF (pH 7.4): 58.37; (6)ACD/KOC (pH 5.5): 639.53; (7)ACD/KOC (pH 7.4): 639.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 50.81 cm³; (13)Molar Volume: 153.8 cm³; (14)Polarizability: 20.14×10^-24cm³; (15)Surface Tension: 42.6 dyne/cm; (16)Density: 1.193 g/cm³; (17)Flash Point: 122.5 °C; (18)Enthalpy of Vaporization: 51.77 kJ/mol; (19)Boiling Point: 279 °C at 760 mmHg; (20)Vapour Pressure: 0.00412 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-dimethylamino-benzoic acid. This reaction will need reagent oxalyl chloride and solvent CH₂Cl₂. The reaction time is 1 hour.

Uses of Benzoyl chloride,4-(dimethylamino)-: it can be used to produce 4-(4-Dimethylaminobenzoyloxy)pyridin at ambient temperature. It will need reagent pyridine with reaction time of 1 hour. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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: ClC(=O)c1ccc(N(C)C)cc1
(2)InChI: InChI=1/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
(3)InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
(5)Std. InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N