8-CHLORO-4-HYDROXYQUINOLINE
- Iupac Name：8-chloro-1H-quinolin-4-one
- CAS No.: 57797-97-4
- Molecular Weight：179.603
- Modify Date.: 2022-11-24 06:55
- Introduction:
Off White powder
View more+
1. Names and Identifiers
- 1.1 Name
- 8-CHLORO-4-HYDROXYQUINOLINE
- 1.2 Synonyms
4-Chloro-4-hydroxyquinoline 4-HYDROXY-8-CHLOROQUINOLINE 8-chloro-1H-quinolin-4-one 8-CHLORO-4-HYDROXYQUINOLINE 8-CHLORO-4-QUINOLINOL 8-Chloroquinolin-4-ol
- 1.3 CAS No.
- 57797-97-4
- 1.4 CID
- 265885
- 1.5 Molecular Formula
- C9H6ClNO (isomer)
- 1.6 Inchi
- InChI=1S/C9H6ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
- 1.7 InChkey
- SUZPLFOSYVTCLE-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC2=C(C(=C1)Cl)NC=CC2=O
- 1.9 Isomers Smiles
- C1=CC2=C(C(=C1)Cl)NC=CC2=O
2. Properties
- 2.1 Density
- 1.339
- 2.1 Boiling point
- 300.8°Cat760mmHg
- 2.1 Refractive index
- 1.608
- 2.1 Flash Point
- 135.7°C
- 2.1 Precise Quality
- 179.01400
- 2.1 PSA
- 33.12000
- 2.1 logP
- 2.59380
- 2.1 Chemical Properties
- Off White powder 8-CHLORO-4-HYDROXYQUINOLINESupplier
3. Safety and Handling
- 3.1 Symbol
- GHS05;GHS06;
- 3.1 Hazard Codes
- T
- 3.1 Signal Word
- DANGER
- 3.1 Risk Statements
- 25-41
- 3.1 Safety Statements
- 26-39-45
- 3.1 Hazard Declaration
- H301; H318
- 3.1 RIDADR
- UN 2811 6.1 / PGIII
- 3.1 Caution Statement
- P280; P301 + P310; P305 + P351 + P338
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 3
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Danger |
| Hazard statement(s) | H301 Toxic if swallowed H318 Causes serious eye damage |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/… |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
57797-97-4Total: 8 Synthesis Route
8. Computational chemical data
- Molecular Weight: 179.603g/mol
- Molecular Formula: C9H6ClNO
- Compound Is Canonicalized: True
- XLogP3-AA: 2.2
- Exact Mass: 179.0137915
- Monoisotopic Mass: 179.0137915
- Complexity: 227
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 29.1
- Heavy Atom Count: 12
- 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: AAADcYByIAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgIQAAAADA7BmCQwwILAAACIAqRWQACCAAAlBwAIiIEIRsgIIDrBl5HEIYhggABIyccYiICOAAAAIAACABAAAABAAAQAIAAAAAAAAA==
9. Recommended Suppliers
-
- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
-
- Products:API & API intermediates
- Tel:86-21-33758180
-
- Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
- Tel:86-755-33239182
-
- Products:APIs and intermediates
- Tel:86-571-85241926
-
- Products:Pharmaceutical Intermediate, API, Botanical Extract
- Tel:86-311-66600578
10. Realated Product Infomation
skype
