Basic information
- CAS
32588-36-6- Standard SMILES
O=C(O)Cc1cc2ccccc2[nH]1- InChIKey
QOPBEBWGSGFROG-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
1H-Indole-2-acetic acid has been reported in Streptomyces fradiae with data available.
Names & identifiers
- Preferred name
- 2-Indolylacetic acid
- IUPAC
- 2-(1H-indol-2-yl)acetic acid
- English name
- INDOLE-2-ACETIC ACID
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
2-indolylacetic acidRefChem:473646110-419-1INDOLE-2-ACETIC ACID32588-36-62-(1H-indol-2-yl)acetic AcidMFCD00957069Indol-2-yl-essigsaeure2-(2-Indolyl)acetic AcidIndol-2-ylacetic acid1H-Indole-2-acetic acid(1H-Indol-2-yl)-acetic acid
Show more names
2-(1H-indol-2-yl)aceticaci1H-Indole-2-acetic acid (9CI, ACI)1h-indole-2-acetic acid (as sodium salt)2-(2-indolyl)acetic acid 4-nitrophenyl ester
1H-indol-2-ylacetic acidindolacetic a(1H-Indol-2-yl)acetic acidindolacetic acidINDOLE-2acetic acid2-indol-2-ylacetic acid1H-Indole-2-acetic aciidSCHEMBL49270
Database identifiers
- CAS
32588-36-6- PubChem CID
- 4371752
- DTXSID
DTXSID10402511- EC Number
- 110-419-1
- Nikkaji
- J330.702F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 95 ℃ · 95℃ (DEC.)
- Boiling point
- 415 · 415.0±20.0 °C(Predicted)
- Density
- 1.354 · 1.354
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 4.54 · 4.54±0.30(Predicted)
- form
- solid
- color
- Red-brown
- InChI
- 1S/C10H9NO2/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6H2,(H,12,13)
- InChIKey
- QOPBEBWGSGFROG-UHFFFAOYSA-N
- SMILES
- OC(CC1=CC(C=CC=C2)=C2N1)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- wgk
- WGK 3
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Indoleacetic acid is an important pharmaceutical intermediate. Indole compounds derived from indole-2-acetic acid have various physiological effects, such as antimalarial, antitumor, and antidiabetic effects. They can be used as serotonin (HT) receptor inhibitors and cyclooxygenase inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers89 total
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
北京泰和景明医药科技有限公司15011440205 · [email protected]
Related reactions
6 records
Compound notes
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