Basic information
- CAS
52980-27-5- Standard SMILES
CCOC(=O)c1c[nH]c2c(Cl)cccc2c1=O- InChIKey
CVTZGJPEFPRNNB-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester
- IUPAC
- ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
- English name
- 8-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
73987-37-83-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl esterDTXSID00224769RefChem:1068783DTXCID80147260ethyl 8-chloro-4-hydroxyquinoline-3-carboxylate52980-27-58-Chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl esterethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylateMFCD000240028-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTEREthyl 8-chloro-4-hydroxy-3-quinolinecarboxylate
Show more names
NSC 102517BUTTPARK 18\09-61Ethyl 4-hydroxy-8-chloroquinoline-3-carboxylate8-chloro-4-hydroxy-3-quinolinecarboxylicaciethylester8-Chloro-4-hydroxy-3-quinolinecarboxylic acid ethyl ester4-Hydroxy-8-chloroquinoline-3-carboxylic acid ethyl ester
8-CHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTERMFCD01829028Oprea1_5499854-22-00-02266 (Beilstein Handbook Reference)3-Quinolinecarboxylic acid, 8-chloro-1,4-dihydro-4-oxo-, ethyl esterEN300-206554ethyl 8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylateethyl 8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 253 · 253-254 °C
- Boiling point
- 366.8 · 366.8±37.0 °C(Predicted)
- Density
- 1.386 · 1.386
- storage temp.
- 2 · 2-8°C
- pka
- 2.22 · 2.22±0.50(Predicted)
- form
- solid
- Appearance
- Off-white to yellow Solid
- InChI
- 1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
- InChIKey
- CVTZGJPEFPRNNB-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cnc2c(Cl)cccc2c1O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · 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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers5 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海智乾生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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