5-bromo-2,3-dihydro-1H-indene-2-carboxylic acid

HCID 21986124

Notes Reactions

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Basic information

CAS: 97901-15-0
Standard SMILES: O=C(O)C1Cc2ccc(Br)cc2C1
InChIKey: OMJPTHPPEYUYLP-UHFFFAOYSA-N
Molecular formula: C10H9BrO2
Average molar mass: 241.08 g/mol

Names & identifiers

Preferred name: 5-bromo-2,3-dihydro-1H-indene-2-carboxylic acid
IUPAC: 5-bromo-2,3-dihydro-1H-indene-2-carboxylic acid
English name: 5-Bromoindan-2-carboxylic Acid
Molecular formula: C10H9BrO2
Molecular weight: 241.08

Names & synonyms

97901-15-05-BROMO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLIC ACIDRefChem:532924961-711-8MFCD179265735-bromoindane-2-carboxylic acid5-Bromoindan-2-carboxylic Acid1H-Indene-2-carboxylic acid, 5-bromo-2,3-dihydro-5-bromo-indan-2-carboxylic acid5-bromo-2,3-dihydro-1H-indene-2-carboxylicacid5-bromo-2-indancarboxylic acidSCHEMBL1016657

Show more names

OMJPTHPPEYUYLP-UHFFFAOYSA-NXDA90115XH1209AKOS016353069AT39476NS-03383SY456795DB-317252

Database identifiers

CAS: 97901-15-0
PubChem CID: 21986124
EC Number: 961-711-8

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 370.8 · 370.8±42.0 °C(Predicted)
Density: 1.64 · 1.640±0.06 g/cm3(Predicted)
pka: 4.41 · 4.41±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses5-Bromoindan-2-carboxylic Acid acts as a reagent for the synthesis and activities of tetrahydronapthalene and indane derivatives which are tested and used as thromboxane A2 synthetase inhibitors.