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61956-65-8

Basic Information
CAS No.: 61956-65-8
Name: 3-ETHOXYBENZOYL CHLORIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 61956-65-8 (3-ETHOXYBENZOYL CHLORIDE)
Formula: C9H9ClO2
Molecular Weight: 184.622
Synonyms: 3-Ethoxybenzoylchloride;
Density: 1.18 g/cm3
Boiling Point: 261 °C at 760 mmHg
Flash Point: 97.2 °C
Risk Codes: 34
Safety: 26-36/37/39
PSA: 26.30000
LogP: 2.46430
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Specification

The Benzoyl chloride,3-ethoxy- is an organic compound with the formula C9H9ClO2. The systematic name of this chemical is 3-ethoxybenzoyl chloride. With the CAS registry number 61956-65-8, the product's categories are Acidhalide; Aromatic Halides (substituted). Besides, it should be stored in a cool and dry place.

Physical properties about Benzoyl chloride,3-ethoxy- are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.91; (3)ACD/LogD (pH 7.4): 2.91; (4)ACD/BCF (pH 5.5): 95.22; (5)ACD/BCF (pH 7.4): 95.22; (6)ACD/KOC (pH 5.5): 907.76; (7)ACD/KOC (pH 7.4): 907.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 47.8 cm3; (13)Molar Volume: 156.3 cm3; (14)Polarizability: 18.95×10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 97.2 °C; (18)Enthalpy of Vaporization: 49.87 kJ/mol; (19)Boiling Point: 261 °C at 760 mmHg; (20)Vapour Pressure: 0.0119 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of 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: ClC(=O)c1cc(OCC)ccc1
(2)InChI: InChI=1/C9H9ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
(3)InChIKey: GDBMWSHYPYKDED-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H9ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
(5)Std. InChIKey: GDBMWSHYPYKDED-UHFFFAOYSA-N