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8-CHLORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE structure
8-CHLORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE structure

8-CHLORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE

Iupac Name:8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CAS No.: 18706-22-4
Molecular Weight:247.60100
Modify Date.: 2022-11-24 08:59
Introduction:

white to light yellow crystal powder

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1. Names and Identifiers
1.1 Name
8-CHLORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE
1.2 Synonyms

8-chloro-2-(trifluoromethyl)-4-quinolinol 8-chloro-2-(trifluoromethyl)-4-quinolinolate 8-CHLORO-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL BUTTPARK 47\04-17 HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE MFCD00276589

1.3 CAS No.
18706-22-4
1.4 CID
2736611
1.5 Molecular Formula
C10H5ClF3NO (isomer)
1.6 Inchi
InChI=1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
1.7 InChIkey
SBVZSZNYPRWWNN-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F
1.9 Isomers Smiles
C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F
2. Properties
2.1 Density
1.499g/cm3
2.1 Melting point
138 °C
2.1 Boiling point
258.6ºC at 760mmHg
2.1 Refractive index
1.567
2.1 Flash Point
110.2ºC
2.1 Precise Quality
247.00100
2.1 PSA
33.12000
2.1 logP
3.61260
2.1 Appearance
white to light yellow crystal powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
white to light yellow crystal powder 8-CHLORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINESupplier
2.4 pKa
6.21±0.40(Predicted)
2.5 StorageTemp
Sealed in dry,2-8°C
3. Safety and Handling
3.1 Hazard Codes
Xi
3.1 Risk Statements
R36/37/38
3.1 Safety Statements
S26-S36/37/39-S37/39
3.1 Hazard Class
IRRITANT
3.1 Hazard Declaration
H302
3.1 Caution Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
3.1 Safety

Safty information about 8-Chloro-2-(trifluoromethyl)-4-quinolinol (CAS NO.18706-22-4) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S37/39:Wear suitable gloves and eye/face protection.
Hazard Note: Irritant 

3.2 Specification

 8-Chloro-2-(trifluoromethyl)-4-quinolinol , its cas register number is 18706-22-4. It also can be called 8-Chloro-4-Hydroxy-2-(Trifluoromethyl)Quinoline ; 8-Chloro-2-(Trifluoromethyl)Quinolin-4-Ol ; 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline 97% .It is a white to light yellow crystal powder.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Chemical Properties
white to light yellow crystal powder
6. Computational chemical data
  • Molecular Weight: 247.60100g/mol
  • Molecular Formula: C10H5ClF3NO
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.1
  • Exact Mass: 247.0011760
  • Monoisotopic Mass: 247.0011760
  • Complexity: 339
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 29.1
  • Heavy Atom Count: 16
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYByIYAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwIQAAAADA6BmDAwwILAAACIAqRSQACCAAAlBwAIiAEARsgIIDrBl5HEIYhggADIyccYiICOAAAAIAACABAAAABAAAQAIAAAAAAAAA==
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8. Realated Product Infomation