Basic information
- CAS
730949-78-7- Standard SMILES
O=C(O)COc1c(I)cc(Cl)c2cccnc12- InChIKey
XLKWXKFEMAQBTO-UHFFFAOYSA-N- Molecular formula
- C11H7ClINO3
- Average molar mass
- 363.53 g/mol
- Monoisotopic mass
- 362.91592
Names & identifiers
- Preferred name
- (5-Chloro-7-iodo-quinolin-8-yloxy)-acetic acid
- IUPAC
- 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acid
- English name
- (5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETIC ACID
- Molecular formula
- C11H7ClINO3
- Molecular weight
- 363.54
Names & synonyms
730949-78-7(5-Chloro-7-iodo-quinolin-8-yloxy)-acetic acid2-((5-Chloro-7-iodoquinolin-8-yl)oxy)acetic acid2-[(5-chloro-7-iodoquinolin-8-yl)oxy]acetic acid2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acidMFCD04621473C11H7ClINO3HMS1752M22AKOS008967045SB72401SY135246EN300-06430
Show more names
2-[(5-Chloro-7-iodo-8-quinolinyl)oxy]acetic acidAcetic acid, 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]-
G359042-((5-Chloro-7-iodoquinolin-8-yl)oxy)aceticacid2-[(5-Chloro-7-iodo-8-quinolyl)oxy]acetic AcidF911944SR-010000469202-(5-chloro-7-iodo-quinolin-1-ium-8-yl)oxyacetateSR-01000046920-1Z56943404
Database identifiers
- CAS
730949-78-7- PubChem CID
- 2393499
- EC Number
- 181-417-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 500.2 · 500.2±50.0 °C(Predicted)
- Density
- 1.955 · 1.955±0.06 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.40(Predicted)
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, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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%)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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