Basic information
- CAS
83848-59-3- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])c2cccnc12- InChIKey
HXHZCOASPJWXPP-UHFFFAOYSA-N- Molecular formula
- C10H6N2O4
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.03275668
Names & identifiers
- Preferred name
- 5-Nitroquinoline-8-carboxylic acid
- IUPAC
- 5-nitroquinoline-8-carboxylic acid
- English name
- 5-nitroquinoline-8-carboxylic acid
- Molecular formula
- C10H6N2O4
- Molecular weight
- 218.17
Names & synonyms
5-nitroquinoline-8-carboxylic acidRefChem:537457823-495-283848-59-38-Quinolinecarboxylic acid, 5-nitro-Oprea1_006490SCHEMBL2961445CHEMBL42279425-nitroquinoline-8-carboxylicacidDTXSID00876181HXHZCOASPJWXPP-UHFFFAOYSA-N5-nitro-8-quinolinecarboxylic acid
Show more names
5-nitroquinoline-8-carboxilic acidIDA84859MFCD01435910AKOS002328850SY187149ST45184262EN300-75852G92182
Database identifiers
- CAS
83848-59-3- PubChem CID
- 15405331
- DTXSID
DTXSID00876181- ChEMBL
CHEMBL4227942- EC Number
- 823-495-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 209 · 209-213 °C
- Boiling point
- 468.6 · 468.6±35.0 °C(Predicted)
- Density
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- pka
- -3.2 · -3.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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