CAS No.1817-57-8,4-PHENYL-3-BUTYN-2-ONE Suppliers

Products Categories

Pharmaceutical (27)
Organic Chemicals (12)
Others (3)
Reagent (2)
Basic Inorganic Chemicals (2)

Basic Information

Molecular Structure:
CAS No.:	1817-57-8
Name:	4-PHENYL-3-BUTYN-2-ONE
Article Data:	151

Formula:	C₁₀H₈O
Molecular Weight:	144.173
Synonyms:	(3-Oxo-1-butynyl)benzene;1-Phenyl-1-butyn-3-one;4-Phenyl-3-butyn-2-one;4-Phenyl-3-butyne-2-one;Acetylphenylacetylene;Methyl phenylethynyl ketone;Phenylethynyl methyl ketone;
EINECS:	217-327-1
Density:	1.058 g/cm³
Melting Point:	4°C
Boiling Point:	252.9 °C at 760 mmHg
Flash Point:	95 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-27-37/39
PSA:	17.07000
LogP:	1.62710

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:40 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 1817-57-8

Specification

The 4-Phenyl-3-butyn-2-one with the cas number 1817-57-8 is also called 3-Butyn-2-one,4-phenyl-. Both the systematic name and IUPAC name are 4-phenylbut-3-yn-2-one. Its EINECS registry number is 217-327-1. The molecular formula is C₁₀H₈O. This chemical belongs to the following product categories: (1)Acetylenes; (2)Functionalized Acetylenes; (3)C10; (4)Carbonyl Compounds; (5)Ketones.

The properties of the chemical are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.56; (6)ACD/BCF (pH 7.4): 47.56; (7)ACD/KOC (pH 5.5): 552.312; (8)ACD/KOC (pH 7.4): 552.312; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 43.398 cm³; (15)Molar Volume: 136.219 cm³; (16)Polarizability: 17.204×10^-24cm³; (17)Surface Tension: 41.786 dyne/cm; (18)Enthalpy of Vaporization: 49.031 kJ/mol; (19)Vapour Pressure: 0.019 mmHg at 25°C.

Preparation: This chemical can be prepared by 4-phenyl-but-3-yn-2-ol. This reaction needs reagent MnO₂.

Uses: This chemical can prepare 4c-phenyl-but-3-en-2-one. This reaction needs Lindlar reduction.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C#Cc1ccccc1
(2)InChI: InChI=1/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
(3)InChIKey: UPEUQDJSUFHFQP-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05642,
mouse	LD50	oral	> 1gm/kg (1000mg/kg)		Pharmaceutical Chemistry Journal Vol. 15, Pg. 103, 1981.