Basic information
- CAS
28027-18-1- Standard SMILES
COc1cccc2c(=O)c(C(=O)O)c[nH]c12- InChIKey
CDGYPATWKVOBIY-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 4-Hydroxy-8-methoxyquinoline-3-carboxylic acid
- IUPAC
- 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- NSC199383
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
4-hydroxy-8-methoxyquinoline-3-carboxylic acidRefChem:523934821-657-728027-18-135975-69-0280027-18-18-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid8-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acidMFCD000240064-HYDROXY-8-METHOXY-3-QUINOLINECARBOXYLIC ACIDNSC80676
Show more names
NSC1993838-Methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-8-methoxy-4-oxo-
CBMicro_035748Cambridge id 5868022Oprea1_000934Oprea1_381729MLS0000673534-HYDROXY-8-METHOXYQUINOLINE-3-CARBOXYLICACIDCHEMBL217920SCHEMBL4721195
Database identifiers
- CAS
28027-18-1、35975-69-0- PubChem CID
- 255290
- DTXSID
DTXSID00950718- ChEMBL
CHEMBL217920- EC Number
- 821-657-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 302 °C · 302 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 407.1 · 407.1±45.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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