Completing data — refresh the page later to see the latest
Basic information
- CAS
302949-02-6- Standard SMILES
O=C(O)c1c[nH]c2ccc(I)cc2c1=O- InChIKey
MPPGVYGQCYVNRZ-UHFFFAOYSA-N- Molecular formula
- C10H6INO3
- Average molar mass
- 315.06 g/mol
- Monoisotopic mass
- 314.93924
Names & identifiers
- Preferred name
- 6-Iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 6-iodo-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 4-Hydroxy -6-iodoquinoline-3- carboxylic acid
- Molecular formula
- C10H6INO3
- Molecular weight
- 315.06
Names & synonyms
302949-02-66-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acidRefChem:543468874-066-14-Hydroxy-6-iodoquinoline-3-carboxylic acid40107-06-06-iodo-4-oxo-1H-quinoline-3-carboxylic acidMFCD019122856-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-6-iodo-4-oxo-6-Iodo-4-oxo-1,4-dihydro-3-quinoline-carboxylic acidOprea1_053455
Show more names
4-Hydroxy-6-iodo-3-quinolinecarboxylic acid
AE-641/13516204CHEMBL217028SCHEMBL1618188SCHEMBL2479663MPPGVYGQCYVNRZ-UHFFFAOYSA-NCMA94902AB7320STL331867
Database identifiers
- CAS
302949-02-6、40107-06-0- PubChem CID
- 719683
- ChEMBL
CHEMBL217028- EC Number
- 809-274-3、874-066-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 430.9 · 430.9±45.0 °C(Predicted)
- Density
- 2.04 · 2.040±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 6.44 · 6.44±0.10(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933499090 · 2933499090
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
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]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
4 records
Compound notes
Loading…