2-(6-fluoro-1H-indol-1-yl)acetic acid
Basic information
- CAS
887685-54-3- Standard SMILES
O=C(O)Cn1ccc2ccc(F)cc21- InChIKey
UVPVRQIYZWPBEJ-UHFFFAOYSA-N- Molecular formula
- C10H8FNO2
- Average molar mass
- 193.17 g/mol
- Monoisotopic mass
- 193.05390666
Names & identifiers
- Preferred name
- 2-(6-fluoro-1H-indol-1-yl)acetic acid
- IUPAC
- 2-(6-fluoroindol-1-yl)acetic acid
- English name
- (6-Fluoro-indol-1-yl)-aceticacid
- Molecular formula
- C10H8FNO2
- Molecular weight
- 193.17
Names & synonyms
2-(6-Fluoro-1H-indol-1-yl)acetic acidRefChem:459208874-508-3887685-54-3(6-fluoro-1H-indol-1-yl)acetic acid2-(6-fluoroindol-1-yl)acetic acid(6-Fluoro-indol-1-yl)-acetic acidMFCD07401756(6-fluoroindol-1-yl)acetic acid1H-indole-1-acetic acid, 6-fluoro-2-(6-fluoranylindol-1-yl)ethanoic acid6-Fluoro-indole-1-acetic acid
Show more names
(6-Fluoro-indol-1-yl)-aceticacid2-(6-fluoro-1-indolyl)acetic acid2-(6-fluoroindol-1-yl)ethanoic acid
SCHEMBL16156155DTXSID60424662ALBB-015504STK716499AKOS0007438972-(6-Fluoro-1H-indol-1-yl)aceticacidVS-02493DB-344797
Database identifiers
- CAS
887685-54-3- PubChem CID
- 6498201
- DTXSID
DTXSID60424662- EC Number
- 874-508-3
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 388.5 · 388.5±22.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.19 · 4.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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