2,6-Dichloroquinoxaline
Basic information
- CAS
18671-97-1- Standard SMILES
Clc1ccc2nc(Cl)cnc2c1- InChIKey
WFOKVKYNVKVWFK-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2N2
- Average molar mass
- 199.03 g/mol
- Monoisotopic mass
- 197.97515349
Names & identifiers
- Preferred name
- 2,6-Dichloroquinoxaline
- IUPAC
- 2,6-dichloroquinoxaline
- English name
- 2,6-Dichloroquinoxaline
- Molecular formula
- C8H4Cl2N2
- Molecular weight
- 199.04
Names & synonyms
2,6-Dichloroquinoxaline18671-97-1Quinoxaline, 2,6-dichloro-29VQU5GY7GDTXSID3066398DICHLOROQUINOXALINE, 2,6-RefChem:831992,6 dichloro quinoxalineDTXCID3035898606-094-5MFCD008396952,6-dichloro-quinoxaline
Show more names
SALOR-INT L300268-1EA2,6-DICHLOROQUINOXALINE 95%2,6-DICHLOROQUINOXALINE 95%Quinoxaline, 2,6-dichloro- (6CI,7CI,8CI,9CI)
UNII-29VQU5GY7GSCHEMBL3461202,6-Dichloroquinoxaline, 97%SCHEMBL29580471AKOS015902070CS-W008551MSK168674-100MAC-11456
Database identifiers
- CAS
18671-97-1- PubChem CID
- 87748
- DTXSID
DTXSID3066398- UNII
- 29VQU5GY7G
- EC Number
- 606-094-5
- Nikkaji
- J366.445G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 153 · 153-157 °C (lit.)
- Boiling point
- 278.7 · 278.7±35.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- -2.42 · -2.42±0.30(Predicted)
- color
- Light Yellow to Brown
- InChI
- InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
- InChIKey
- WFOKVKYNVKVWFK-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(Cl)=CC=2)N=CC=1Cl
- CAS DataBase Reference
- 18671 · 18671-97-1(CAS DataBase Reference)
- FDA UNII
- 29 VQU5GY7G · 29VQU5GY7G
- EPA Substance Registry System
- 2 · Quinoxaline, 2,6-dichloro- (18671-97-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- T,Xn
- Risk Statements
- 25 · 25-38-41-37/38-22
- Safety Statements
- 36 · 36/37/39-45-39-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (69.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933998090
- risk_code
- 25-38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- T,Xn
- safety_code
- 36/37/39-45-39-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoxaline, 2,6-dichloro-: INACTIVE
Applications
UsesIntermediate for the production of herbicides Attributes For further information please contact us Contact
Uses2,6-Dichloroquinoxaline is an analogue of 3-amino-7-chloro-1,2,4-benzotriazine 1-oxide, an antimalarial agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
Loading…