7-Chloro-4-hydroxyquinoline
Basic information
- CAS
23833-97-8- Standard SMILES
O=c1cc[nH]c2cc(Cl)ccc12- InChIKey
XMFXTXKSWIDMER-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Overview
7-chloroquinolin-4-ol has been reported in Saccharomonospora with data available.
Names & identifiers
- Preferred name
- 7-Chloro-4-hydroxyquinoline
- IUPAC
- 7-chloro-1H-quinolin-4-one
- English name
- 7-Chloroquinolin-4-ol
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
86-99-77-Chloro-4-hydroxyquinoline4-Quinolinol, 7-chloro-DTXSID90235344RefChem:914271DTXCID901578357-Chloroquinolin-4-ol7-chloroquinolin-4(1H)-one23833-97-87-Chloro-4-quinolinol4(1H)-Quinolinone, 7-chloro-7-chloro-1H-quinolin-4-one
Show more names
7-chloro-4-quinolonePiperaquine Impurity DPiperaquine Impurity 4Chloro hydroxyquinolinePiperaquine Impurity IIPiperaquine Impurity 13
chloroxoquinolineMFCD000067787-chloro-4(1H)-quinolinone7-chloro-quinolin-4-olMFCD2054277723FWH4CH0UMLS000517803CHEMBL1409793
Database identifiers
- CAS
23833-97-8、86-99-7- PubChem CID
- 66593
- DTXSID
DTXSID90235344- ChEMBL
CHEMBL1409793- UNII
- 23FWH4CH0U
- EC Number
- 111-279-4、201-715-2
- Nikkaji
- J192.642J、J3.011.623B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 276 · 276-279 °C(lit.)
- Boiling point
- 348.5 · 348.5±22.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.86 · 3.86±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- BRN
- 125356 · 125356
- InChI
- InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
- InChIKey
- XMFXTXKSWIDMER-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(Cl)C=2)C(O)=CC=1
- CAS DataBase Reference
- 86 · 86-99-7(CAS DataBase Reference)
- FDA UNII
- 23 FWH4CH0U · 23FWH4CH0U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
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
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses7-Chloroquinolin-4-ol is a pharmaceutical and dye intermediate that can be used to synthesize the anti-cancer drug chloroquine phosphate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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