Basic information
- CAS
612-62-4- Standard SMILES
Clc1ccc2ccccc2n1- InChIKey
OFUFXTHGZWIDDB-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.01887687
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Chloroquinoline
- IUPAC
- 2-chloroquinoline
- English name
- 2-Chloroquinoline
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
2-Chloroquinoline612-62-4QUINOLINE, 2-CHLORO-UX7RIN8GEWNSC-6163DTXSID8060612RefChem:470528DTXCID2042985210-317-82-chloro-quinolineChloroquinolineQuinoline, chloro-
Show more names
2CQ2-chloro-quinolinQuinoline2-chloro-2-Chloroquinoline,99%2-Chloroquinoline >2-Chloroquinoline, 98%+2-Chloroquinoline ,99.70%2-Chloroquinoline, 99% 5GR2-Chloroquinoline, 99% 1GR
NSC 6163chioroquinolineMFCD00006741EINECS 210-317-8AI3-089092-Chloroquinoline, 99%CHLOROQUINOLINE, 2-NSC6163
Database identifiers
- CAS
612-62-4- PubChem CID
- 11928
- DTXSID
DTXSID8060612- ChEMBL
CHEMBL2042580- UNII
- UX7RIN8GEW
- EC Number
- 210-317-8
- Nikkaji
- J95.371G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesCrystal structure
LogP2.71
Vapor Pressure0.00508 [mmHg]
Physical DescriptionOff-white solid; mp = 34-37 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 34 · 34-37 °C (lit.)
- Boiling point
- 266 · 266-267 °C (lit.)
- Density
- 1.23 g/mL · 1.23 g/mL at 25 °C (lit.)
- refractive index
- 1.6342 · 1.6342 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- form
- Crystalline Powder, Crystals and/or Chunks or Fused Mass
- pka
- 0.41 · 0.41±0.40(Predicted)
- color
- White to yellow
- Water Solubility
- Insoluble
- BRN
- 112561 · 112561
- InChI
- 1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
- InChIKey
- OFUFXTHGZWIDDB-UHFFFAOYSA-N
- SMILES
- Clc1ccc2ccccc2n1
- CAS DataBase Reference
- 612 · 612-62-4(CAS DataBase Reference)
- FDA UNII
- 7 RIN8GEW · UX7RIN8GEW
- NIST Chemistry Reference
- 2 · Quinoline, 2-chloro-(612-62-4)
- EPA Substance Registry System
- 2 · Quinoline, 2-chloro- (612-62-4)
- 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-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 2320000 · VB2320000
- F
- 8 · 8
- TSCA
- TSCA listed
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Quinoline, 2-chloro-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VB2320000
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 2-chloro-: ACTIVE
Applications
Uses2-Chloroquinoline is an intermediate used in the synthesis of various compounds that exhibits antifungal properties.
Uses2-Chloroquinoline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It reacts with benzotriazole, followed by cyclization with loss of nitrogen, gives the indolo[2,3-b]quinoline ring system for use in novel cytotoxic DNA topoisomerase II inhibitors.
Upstream & downstream products
Upstream raw materials
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Related reactions
252 records
Compound notes
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