Basic information
- CAS
7482-91-9- Standard SMILES
O=C(O)c1cc(-c2cccnc2)nc2ccccc12- InChIKey
XQNXXNNXRWYNAS-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- Cinchoninic acid, 2-(3-pyridyl)-
- IUPAC
- 2-pyridin-3-ylquinoline-4-carboxylic acid
- English name
- 2-Pyridin-3-yl-quinoline-4-carboxylic acid
- Molecular formula
- C15H10N2O2
- Molecular weight
- 250.25
Names & synonyms
7482-91-92-(pyridin-3-yl)quinoline-4-carboxylic acid2-(3-Pyridyl)cinchoninic acidBRN 0206574CINCHONINIC ACID, 2-(3-PYRIDYL)-2-(3-Pyridyl)cinchoninsaeure2-(3-Pyridyl)cinchoninsaeure [German]Kyselin 2-(3-pyridyl)-cinchoninova [Czech]4-Quinolinecarboxylic acid, 2-(3-pyridinyl)-Kyselin 2-(3-pyridyl)-cinchoninovaDTXSID002257915-25-05-00235 (Beilstein Handbook Reference)
Show more names
AKOS BBS-00000319TIMTEC-BB SBB000895IFLAB-BB F0307-04682-(3-pyridinyl)-4-quinolinecarboxylate2-(3-pyridyl)-4-quinolinecarboxylic acid
RefChem:577179DTXCID30148282673-275-32-Pyridin-3-yl-quinoline-4-carboxylic acid2-pyridin-3-ylquinoline-4-carboxylic acidMFCD002248062-(3-pyridyl)quinoline-4-carboxylic acidOprea1_361169
Database identifiers
- CAS
7482-91-9- PubChem CID
- 24067
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 290 °C · 290 °C(Solv: methanol (67-56-1); ethanol (64-17-5))
- Boiling point
- 481.9 · 481.9±40.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.02 · 2.02±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers31 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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