1H-indene-3-carboxylic acid
Basic information
- CAS
14209-41-7- Standard SMILES
O=C(O)C1=CCc2ccccc21- InChIKey
NZSCUDBGUBVDLO-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 1H-indene-3-carboxylic acid
- IUPAC
- 3H-indene-1-carboxylic acid
- English name
- 1H-indene-3-carboxylic acid
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1H-Indene-3-carboxylic acid14209-41-7indene-3-carboxylic acidEINECS 238-064-9DTXSID20161940RefChem:438621DTXCID5084431238-064-95020-21-33H-indene-1-carboxylic acidMFCD000862071H-Indene-3-carboxylicacid
Show more names
3H-indene-1-carboxylic acid - [K82816]
3-indenecarboxylic acidY55TUJ2QY4SCHEMBL335207SCHEMBL3614858SCHEMBL11217458SCHEMBL311472371H-Indene-3-carboxylic acid 95%SBB087422
Database identifiers
- CAS
14209-41-7、5020-21-3- PubChem CID
- 84261
- DTXSID
DTXSID20161940- UNII
- Y55TUJ2QY4
- EC Number
- 238-064-9
- Nikkaji
- J216.907J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 297.6 · 297.6±9.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.24 · 4.24±0.20(Predicted)
- form
- solid
- color
- Yellow to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 273 · P273
- 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 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (75%)
Acute Tox. 4 (20%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H412
- Precautionary statements
- P273
Chemistry & industry
Applications
Uses1H-Indene-3-carboxylic Acid is used for preparing esters of 1-Fluorindan-1-carboxylic Acid (FICA) as a chiral derivatizing agent.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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