4-Phenylbutyryl chloride supplier

Name
4-Phenylbutyryl chloride
EINECS
CAS No. 18496-54-3
Article Data95
CAS DataBase
Density 1.115 g/cm³
Solubility It reacts with water.
Melting Point 96.5-99 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Formula C₁₀H₁₁ClO
Boiling Point 262.623 °C at 760 mmHg
Molecular Weight 182.65
Flash Point 115.354 °C
Transport Information UN 3265
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols R34:;
Synonyms Butyrylchloride, 4-phenyl- (6CI,8CI);4-Phenylbutanoyl chloride;4-Phenylbutyric acidchloride;Benzenebutanoylchloride;g-Phenylbutyric chloride;g-Phenylbutyryl chloride;
PSA 17.07000
LogP 2.77470

4-Phenylbutyryl chloride Specification

The 4-Phenylbutyryl chloride, with cas registry number 18496-54-3, has the systematic name of 4-phenylbutanoyl chloride. And it is also called Benzenebutanoyl chloride.

Physical properties about this chemical are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 49.947 cm³; (9)Molar Volume: 163.769 cm³; (10)Polarizability: 19.8×10^-24cm³; (11)Surface Tension: 38.126 dyne/cm; (12)Enthalpy of Vaporization: 50.041 kJ/mol; (13)Vapour Pressure: 0.011 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-phenyl-butyric acid. This reaction will need reagent SOCl₂ and pyridine. The reaction time is 90 min with reaction temperature of 20 - 40 ℃.

Uses of 4-phenyl-butyryl chloride: it can be used to produce 3,4-dihydro-2H-naphthalen-1-one. This reaction will need reagent AlCl₃benzene.

When you are using this chemical, please be cautious about it as the following:
The 4-Phenylbutyryl chloride may cause burns. 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. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCc1ccccc1
(2)InChI: InChI=1/C10H11ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(3)InChIKey: VQDQISMDUHBUFF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H11ClO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(5)Std. InChIKey: VQDQISMDUHBUFF-UHFFFAOYSA-N

Product Name

4-Phenylbutyryl chloride

4-Phenylbutyryl chloride Specification

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