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2,3-Dichloro-6-methoxyquinoxaline

HCID 684227
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Basic information

CAS
39267-04-4
Standard SMILES
COc1ccc2nc(Cl)c(Cl)nc2c1
InChIKey
NFJQDGNCJJPQNV-UHFFFAOYSA-N
Molecular formula
C9H6Cl2N2O
Average molar mass
229.06 g/mol
Monoisotopic mass
227.98571817

Names & identifiers

Preferred name
2,3-Dichloro-6-methoxyquinoxaline
IUPAC
2,3-dichloro-6-methoxyquinoxaline
English name
2,3-Dichloro-6-methoxyquinoxaline
Molecular formula
C9H6Cl2N2O
Molecular weight
229.06

Names & synonyms

2,3-dichloro-6-methoxyquinoxaline39267-04-4DTXSID30350621RefChem:244569DTXCID80301688MFCD00461063Quinoxaline, 2,3-dichloro-6-methoxy-2,3-Dichloro-6-methoxy-quinoxalineSCHEMBL1160610SCHEMBL31399998NFJQDGNCJJPQNV-UHFFFAOYSA-NCS-M2334
Show more names
EOS-61016Grazoprevir Intermediate 12,3-Dichloro-6-methoxyquinoxaline 98%2,3-Dichloro-6-methoxy-1,4-benzodiazine
2,3-di-chloro-6-methoxyquinoxalineAKOS000447386AC-28947DS-15786SY113888DB-011344ST4019581F222281

Database identifiers

CAS
39267-04-4
PubChem CID
684227
DTXSID
DTXSID30350621
EC Number
806-741-3

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
205

Physicochemical properties

Density
1.45 · 1.450
storage temp.
Inert atmosphere,Room Temperature
Appearance
White to pink Solid
InChI
InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
InChIKey
NFJQDGNCJJPQNV-UHFFFAOYSA-N
SMILES
N1C2C(=CC(OC)=CC=2)N=C(Cl)C=1Cl
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H315-H319-H335
Precautionary statements
280 · P280
HS Code
2933998090 · 2933998090

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P280

Chemistry & industry

Applications

Uses2,3-Dichloro-6-methoxyquinoxaline is used for preparation of antibacterial and antifungal activity of (tetrazolo[1,5-a]quinoxalinyl)dihydrophthalazine-diones as reactant or reagent.

Upstream & downstream products

Upstream raw materials

2,3-DIHYDROXY-6-METHOXYQUINOXALINE

Related reactions

9 records
New reaction record
HRID 464266 reaction equation
HRID 464266As reactantuspto-grants-1985_10
HRID 464300 reaction equation
HRID 464300As reactantuspto-grants-1985_10
HRID 1223257 reaction equation
HRID 1223257As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1227212 reaction equation
HRID 1227212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1589797 reaction equation
HRID 1589797As reactantuspto-grants-1993_04
HRID 1731914 reaction equation
HRID 1731914As reactantuspto-grants-1986_11
HRID 1731950 reaction equation
HRID 1731950As reactantuspto-grants-1986_11
HRID 2412882 reaction equation
HRID 2412882As reactantuspto-grants-1985_01
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Compound notes

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