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Quinoxaline,2,6-dichloro-(CAS No. 18671-97-1)

Quinoxaline,2,6-dichloro- C8H4Cl2N2 (cas 18671-97-1) Molecular Structure

18671-97-1 Structure

Identification and Related Records

【Name】
Quinoxaline,2,6-dichloro-
【Iupac name】
2,6-dichloroquinoxaline
【CAS Registry number】
18671-97-1
【Molecular Formula】
C8H4Cl2N2 (Products with the same molecular formula)
【Molecular Weight】
199.04
【Inchi】
InChI=1/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
【Canonical SMILES】
C1=CC2=NC(=CN=C2C=C1Cl)Cl
【MOL File】
18671-97-1.mol

Chemical and Physical Properties

【Appearance】
Pale yellow to grey crystalline particle
【Density】
1.486 g/cm3
【Melting Point】
153-157℃
【Boiling Point】
278.7 °C at 760 mmHg
【Vapour】
0.00711mmHg at 25°C
【Refractive Index】
1.67
【Flash Point】
149.1 °C
【Solubilities】
Insoluble in water, but soluble in benzene and toluene
【Computed Properties】
Molecular Weight:199.03676 [g/mol]
Molecular Formula:C8H4Cl2N2
XLogP3:2.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:197.975154
MonoIsotopic Mass:197.975154
Topological Polar Surface Area:25.8
Heavy Atom Count:12
Formal Charge:0
Complexity:165
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic;
【Risk Statements】
R25;R38;R41
【Safety Statements 】
S36/37/39;S45
【Safety】

Hazard Codes of Quinoxaline,2,6-dichloro- (CAS NO.18671-97-1): ToxicT,HarmfulXn
Risk Statements: 25-41-37/38-22 
R25: Toxic if swallowed. 
R41: Risk of serious damage to the eyes. 
R37/38: Irritating to respiratory system and skin. 
R22: Harmful if swallowed.
Safety Statements: 36/37/39-45-26 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Use and Manufacturing

【Usage】
Intermediate for the production of herbicides Attributes For further information please contact us Contact

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