CAS No.40782-54-5,4-N-HEPTYLOXYBENZOYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40782-54-5
Name:	4-N-HEPTYLOXYBENZOYL CHLORIDE
Article Data:	110

Formula:	C₁₄H₁₉ClO₂
Molecular Weight:	254.757
Synonyms:	4-(Heptyloxy)benzoylchloride;p-(Heptyloxy)benzoyl chloride;
EINECS:	255-077-5
Density:	1.066 g/cm³
Melting Point:	226-227 ºC
Boiling Point:	348 °C at 760 mmHg
Flash Point:	131 °C
Appearance:	clear light yellow liquid
Hazard Symbols:	C
Risk Codes:	34-36/37
Safety:	26-27-28-36/37/39-45
PSA:	26.30000
LogP:	4.41480

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Specification

The Benzoyl chloride,4-(heptyloxy)-, with the CAS registry number 40782-54-5, is also known as 4-(Heptyloxy)benzoyl chloride. Its EINECS registry number is 255-077-5. This chemical's molecular formula is C₁₄H₁₉ClO₂ and molecular weight is 254.7525. What's more, its systematic name is 4-Heptoxybenzoyl chloride. Besides, The chemical is clear light yellow liquid.

Physical properties about Benzoyl chloride,4-(heptyloxy)- are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9967.81; (6)ACD/BCF (pH 7.4): 9967.81; (7)ACD/KOC (pH 5.5): 25338.86; (8)ACD/KOC (pH 7.4): 25338.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 70.97 cm³; (15)Molar Volume: 238.8 cm³; (16)Polarizability: 28.13×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 131 °C; (20)Enthalpy of Vaporization: 59.23 kJ/mol; (21)Boiling Point: 348 °C at 760 mmHg; (22)Vapour Pressure: 5.2E-05 mmHg at 25 °C.

Preparation of Benzoyl chloride,4-(heptyloxy)-: this chemical can be prepared by 4-Heptyloxy-benzoic acid. This reaction needs reagent Thionyl Chloride and solvent Benzene. The reaction time is 3 hours.

Benzoyl chloride,4-(heptyloxy)- can be prepared by 4-Heptyloxy-benzoic acid

Use of Benzoyl chloride,4-(heptyloxy)-: it is used to produce other chemicals. For example, it is used to produce 4-Heptyloxybenzoyloxy-4'-pentylbenzophenone. The reaction occurs with solvent Pyridine and ambient temperature for 24 hours. The yield is 76.5 %.

Benzoyl chloride,4-(heptyloxy)- is used to produce 4-Heptyloxybenzoyloxy-4'-pentylbenzophenone

When you are using this chemical, please be cautious about it as the following: As a chemical, it may destroy living tissue on contact and irritate to eyes and respiratory system. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1ccc(OCCCCCCC)cc1
(2) InChI: InChI=1/C14H19ClO2/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3
(3) InChIKey: OTHIDQZVUQAMEW-UHFFFAOYAO