2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid
Basic information
- CAS
71987-66-1- Standard SMILES
Cc1[nH]c2ccc(Br)cc2c1CC(=O)O- InChIKey
GYMIIVHLZZZWAD-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO2
- Average molar mass
- 268.11 g/mol
- Monoisotopic mass
- 266.98949
Names & identifiers
- Preferred name
- 2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid
- English name
- 2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid
- Molecular formula
- C11H10BrNO2
- Molecular weight
- 268.11
Names & synonyms
2-(5-bromo-2-methyl-1H-indol-3-yl)acetic Acid71987-66-1RefChem:458678826-822-7(5-bromo-2-methyl-1H-indol-3-yl)acetic acidMFCD02664386SCHEMBL11338372WCA98766BBL012147STK731589AKOS000283164VS-03210
Show more names
(5-bromo-2-methyl-indol-3-yl)-acetic acid1H-Indole-3-acetic acid, 5-bromo-2-methyl-EN300-37087G325922-(5-bromo-2-methyl-1H-indol-3-yl)aceticAcidAQ-086/43457610F1984-0289Z381031930
Database identifiers
- CAS
71987-66-1- PubChem CID
- 3963665
- EC Number
- 826-822-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 185 · 185-188 °C
- Boiling point
- 468 · 468.0±40.0 °C(Predicted)
- Density
- 1.657 · 1.657±0.06 g/cm3(Predicted)
- pka
- 4.06 · 4.06±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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