Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2H-1-Benzopyran-3-carbonitrile,6-bromo-

Related Products

Hot Products

Name

2H-1-Benzopyran-3-carbonitrile,6-bromo-

EINECS N/A
CAS No. 57543-68-7 Density 1.65 g/cm3
PSA 33.02000 LogP 2.74848
Solubility N/A Melting Point N/A
Formula C10H6BrNO Boiling Point 360.6 °C at 760 mmHg
Molecular Weight 236.068 Flash Point 171.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57543-68-7 (6-BROMO-2H-CHROMENE-3-CARBONITRILE) Hazard Symbols N/A
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;

Article Data 8

2H-1-Benzopyran-3-carbonitrile,6-bromo- 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.

Post a RFQ

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)

1

What can I do for you?
Get Best Price

Get Best Price for 57543-68-7