Basic information
- CAS
1448-87-9- Standard SMILES
Clc1cnc2ccccc2n1- InChIKey
BYHVGQHIAFURIL-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2
- Average molar mass
- 164.59 g/mol
- Monoisotopic mass
- 164.01412584
Names & identifiers
- Preferred name
- 2-Chloroquinoxaline
- IUPAC
- 2-chloroquinoxaline
- English name
- 2-Chloroquinoxaline
- Molecular formula
- C8H5ClN2
- Molecular weight
- 164.59
Names & synonyms
2-CHLOROQUINOXALINE1448-87-9UNII-E9X60Z79BGNSC-43553QUINOXALINE, 2-CHLOROE9X60Z79BGEINECS 215-905-8NSC 43553DTXSID20932415RefChem:86541DTXCID301361107215-905-8
Show more names
Chloroquinoxaline2-Chloroquinoxaline 98%2-Chloroquinoxaline ,99%2-Chloroquinoxaline, 97%+
BYHVGQHIAFURIL-UHFFFAOYSA-NQuinoxaline, 2-chloro-MFCD000439072-chloro-quinoxaline2-chloro-benzopyrazineNSC435532-Chloroquinoxaline, 98%CS-W016083
Database identifiers
- CAS
1448-87-9- PubChem CID
- 238938
- DTXSID
DTXSID20932415- UNII
- E9X60Z79BG
- EC Number
- 215-905-8
- Nikkaji
- J298.633G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 47 · 47-50 °C (lit.)
- Boiling point
- 100 °C/1.4 · 100 °C/1.4 mmHg (lit.)
- Density
- 1.2847 · 1.2847 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- Crystalline Powder
- pka
- -1.21 · -1.21±0.30(Predicted)
- color
- White to gray
- InChI
- InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
- InChIKey
- BYHVGQHIAFURIL-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (90.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 25-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloroquinoxaline (QCI) was used to study the effect of solvent on hydrolysis of QCI in aqueous–organic solvent mixtures with acetonitrile and dimethylesulphoxide. It was used in the synthesis of 2-(3-butynyl-2-methyl-2-ol) quinoxaline.It was used as reagent in the synthesis of chloroquinoxaline sulfamide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
81 records
Compound notes
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