5-Fluoro-1-benzothiophene-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
70060-13-8- Standard SMILES
O=C(O)c1cc2cc(F)ccc2s1- InChIKey
PLVPMOSTGNZKQQ-UHFFFAOYSA-N- Molecular formula
- C9H5FO2S
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 195.99942873
Names & identifiers
- Preferred name
- 5-Fluoro-1-benzothiophene-2-carboxylic acid
- IUPAC
- 5-fluoro-1-benzothiophene-2-carboxylic acid
- English name
- 5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID
- Molecular formula
- C9H5FO2S
- Molecular weight
- 196.2
Names & synonyms
70060-13-85-fluoro-1-benzothiophene-2-carboxylic acid5-Fluorobenzo[b]thiophene-2-carboxylic acidDTXSID903585225-Fluorobenzo(b)thiophene-2-carboxylic acidRefChem:535674DTXCID70309577691-877-45-fluoro-benzo[b]thiophene-2-carboxylic acidMFCD019271845-FLUOROBENZOTHIOPHENE-2-CARBOXYLIC ACID5-Fluoro-1-benzothiophene-2-carboxylicacid
Show more names
5-fluoro-1-benzothiophene-2-carboxylate5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID2-Carboxy-5-fluoro-1-benzothiophene, 5-Fluoro-1-benzothiophene-2-carboxylic acid
F9995-11812-Carboxy-5-fluoro-1-benzothiopheneBenzo[b]thiophene-2-carboxylic acid, 5-fluoro-AI-942/13331151SCHEMBL2897390SCHEMBL29742282PLVPMOSTGNZKQQ-UHFFFAOYSA-NSMSSF-0552834
Database identifiers
- CAS
70060-13-8- PubChem CID
- 901439
- DTXSID
DTXSID90358522- EC Number
- 691-877-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 240 · 240-243
- Boiling point
- 379.4 · 379.4±22.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- 3.31 · 3.31±0.30(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
3 records
Compound notes
Loading…