2,8-Dichloroquinoline
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Basic information
- CAS
4470-83-1- Standard SMILES
Clc1ccc2cccc(Cl)c2n1- InChIKey
VAXOCTXTVIVOQE-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2N
- Average molar mass
- 198.05 g/mol
- Monoisotopic mass
- 196.9799046
Names & identifiers
- Preferred name
- 2,8-Dichloroquinoline
- IUPAC
- 2,8-dichloroquinoline
- English name
- 2,8-DICHLOROQUINOLINE
- Molecular formula
- C9H5Cl2N
- Molecular weight
- 198.05
Names & synonyms
2,8-Dichloroquinoline4470-83-1DTXSID60350316RefChem:248962DTXCID80301385627-428-6Quinoline, 2,8-dichloro-MFCD008320772,8-dichloro-quinolineSCHEMBL8450372,8-Dichloroquinoline, 96%AS-18366
Show more names
Obefazimod(ABX-464)2,8-Dichloroquinoline 96%2,8-DICHLOROQUINOLINE ISO 9001：2015 REACH
SY013566EN300-128589F0001-2437AMY38314BCP28043VAXOCTXTVIVOQFT-0635317A846621
Database identifiers
- CAS
4470-83-1- PubChem CID
- 676553
- DTXSID
DTXSID60350316- EC Number
- 627-428-6
- Nikkaji
- J2.226.049I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 105 · 105-108 °C (lit.)
- Boiling point
- 292.8 · 292.8±20.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.33 · -2.33±0.50(Predicted)
- Appearance
- Light brown to off-white Solid
- InChI
- InChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
- InChIKey
- VAXOCTXTVIVOQE-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2Cl)C=CC=1Cl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H315 (97.7%): 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)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,8-dichloroquinoline (EC: 627-428-6)
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses2,8-Dichloroquinoline may be used in the neat synthesis of 8-chloro-2-(thiophen-2-ylsulfanyl)quinolone. It may also be used in the preparation of 2-methyl-4-[-2′-(8′-chloroquinolyl)]-but-3-yn-2-ol.
General Description2,8-Dichloroquinoline can be synthesized from the reaction between 8-chloroquinoline-N-oxide and phosphoryl trichloride.
Upstream & downstream products
Downstream products
Related reactions
7 records
Compound notes
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