Name: 6-BROMO-2H-CHROMENE-3-CARBONITRILE
SKU: 57543-68-7

Products Categories

Pharmaceutical (9)
Organic Chemicals (3)

Basic Information

Molecular Structure:
CAS No.:	57543-68-7
Name:	6-BROMO-2H-CHROMENE-3-CARBONITRILE
Article Data:	8

Formula:	C₁₀H₆BrNO
Molecular Weight:	236.068
Synonyms:	6-bromo-2h-1-benzopyran-3-carbonitril;BUTTPARK 52\08-03;6-Bromo-2h-chromene-3-carbonitrile;6-Bromo-2H-1-benzopyran-3-carbonitrile;
Density:	1.65 g/cm³
Boiling Point:	360.6 °C at 760 mmHg
Flash Point:	171.9 °C
PSA:	33.02000
LogP:	2.74848

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:12 Page 1 of 1 1

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 57543-68-7

Specification

The CAS register number of 2H-1-Benzopyran-3-carbonitrile,6-bromo- is 57543-68-7. It also can be called as 6-Bromo-2H-1-benzopyran-3-carbonitrile and the IUPAC name about this chemical is 6-bromo-2H-chromene-3-carbonitrile. The molecular formula about this chemical is C₁₀H₆BrNO and the molecular weight is 236.06.

Physical properties about 2H-1-Benzopyran-3-carbonitrile,6-bromo- are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 3.68; (3)ACD/LogD (pH 7.4): 3.68; (4)ACD/BCF (pH 5.5): 366.2; (5)ACD/BCF (pH 7.4): 366.2; (6)ACD/KOC (pH 5.5): 2380.74; (7)ACD/KOC (pH 7.4): 2380.74; (8)#H bond acceptors: 2; (9)Polar Surface Area: 33.02 Å²; (10)Index of Refraction: 1.652; (11)Molar Refractivity: 52.3 cm³; (12)Molar Volume: 142.9 cm³; (13)Polarizability: 20.73x10^-24cm³; (14)Surface Tension: 59.6 dyne/cm; (15)Density: 1.65 g/cm³; (16)Flash Point: 171.9 °C; (17)Enthalpy of Vaporization: 60.64 kJ/mol; (18)Boiling Point: 360.6 °C at 760 mmHg; (19)Vapour Pressure: 2.19E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1OCC(/C#N)=C\c1c2
(2)InChI: InChI=1/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2
(3)InChIKey: SIAGUJHXCCKDQM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2
(5)Std. InChIKey: SIAGUJHXCCKDQM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.