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56634-95-8

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Basic Information
CAS No.: 56634-95-8
Name: BROMOXYNIL-HEPTANOATE
Molecular Structure:
Molecular Structure of 56634-95-8 (BROMOXYNIL-HEPTANOATE)
Formula: C14H15Br2NO2
Molecular Weight: 389.08
Synonyms: 2,6-Dibromo-4-cyanophenylheptanoate;Bromoxynil heptanoate;
EINECS: 260-300-4
Density: 1.59 g/cm3
Boiling Point: 411.7 °C at 760 mmHg
Flash Point: 202.8 °C
Solubility: 160μg/L at 20℃
Hazard Symbols: HarmfulXn,DangerousN,FlammableF
Risk Codes: 20/22-43-63-50/53-67-65-38-11
Safety: 36/37-46-60-61-62-33-29-16
PSA: 50.09000
LogP: 4.95908
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  • Heptanoic acid,2,6-dibromo-4-cyanophenyl ester

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    Heptanoic acid,2,6-dibromo-4-cyanophenyl ester

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • Bromoxynil-Heptanoate manufacturer

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    Bromoxynil-Heptanoate manufacturer

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  • BROMOXYNIL-HEPTANOATE

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    56634-95-8

    BROMOXYNIL-HEPTANOATE

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Specification

The Heptanoic acid,2,6-dibromo-4-cyanophenyl ester is an organic compound with the formula C14H15Br2NO2. The IUPAC name of this chemical is (2,6-dibromo-4-cyanophenyl) heptanoate. With the CAS registry number 56634-95-8, it is also named as 2,6-Dibromo-4-cyanophenyl heptanoate.

Physical properties about Heptanoic acid,2,6-dibromo-4-cyanophenyl ester are: (1)ACD/LogP: 4.66; (2)ACD/LogD (pH 5.5): 4.66; (3)ACD/LogD (pH 7.4): 4.66; (4)ACD/BCF (pH 5.5): 2053.19; (5)ACD/BCF (pH 7.4): 2053.19; (6)ACD/KOC (pH 5.5): 8177.73; (7)ACD/KOC (pH 7.4): 8177.73; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 50.09 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 81.03 cm3; (13)Molar Volume: 243.8 cm3; (14)Polarizability: 32.12×10-24cm3; (15)Surface Tension: 53.4 dyne/cm; (16)Density: 1.59 g/cm3; (17)Flash Point: 202.8 °C; (18)Enthalpy of Vaporization: 66.43 kJ/mol; (19)Boiling Point: 411.7 °C at 760 mmHg; (20)Vapour Pressure: 5.46E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation and if swallowed. If swallowed, seek medical advice immediately and show this container or label. Besides, this chemical is irritating to to skin and may cause sensitisation by skin contact. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C#N)cc(Br)c1OC(=O)CCCCCC
(2)InChI: InChI=1/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
(3)InChIKey: BHZWBQPHPLFZSV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
(5)Std. InChIKey: BHZWBQPHPLFZSV-UHFFFAOYSA-N