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Home › Product Catalog › 3-Indoleacetic Acid

3-Indoleacetic Acid

CAS 87-51-4C10H9NO2MW 175.18

3-Indoleacetic Acid (CAS 87-51-4) — formula C10H9NO2, molecular weight 175.18; category organic chemicals.

Specifications

CAS Number87-51-4
Molecular FormulaC10H9NO2
Molecular Weight175.18
Melting Point168.5 °C
LogP1.41
CategoryOrganic Chemicals

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What this product is

3-Indoleacetic Acid is a carbon-based organic compound with CAS registry number 87-51-4 and molecular formula C10H9NO2 (molecular weight 175.18), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 87-51-4

Its molecular formula C10H9NO2 comprises 10 C, 9 H, 1 N, 2 O atoms.

Also known as: 3-Indoleacetic Acid · 1H-Indole-3-acetic acid

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3-Indoleacetic Acid?

The CAS registry number of 3-Indoleacetic Acid is 87-51-4.

What is the molecular formula and molecular weight of 3-Indoleacetic Acid?

Molecular formula C10H9NO2, molecular weight 175.18.

What other names is 3-Indoleacetic Acid known by?

It is also registered under: 3-Indoleacetic Acid, 1H-Indole-3-acetic acid.

Which category does 3-Indoleacetic Acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 3-Indoleacetic Acid (CAS 87-51-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary8.9% (5 / 56)
Reported hazard statementsH302 (58.9%), H315 (91.1%), H319 (91.1%), H335 (85.7%)

This chemical does not meet GHS hazard criteria for 8.9% (5 of 56) of reports.

H302 (58.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Regulatory listings

GHS notification summary8.9% (5 / 56)

Physical description and handling notes

  • Solid; [Merck Index] Light tan to light pink flaky powder; Odorless; [PhytoTechnology Laboratories MSDS]
  • Solid
  • >26.3 [ug/mL] (The mean of the results at pH 7.4)
  • 136.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
  • 138.11 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
  • 143.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Reported physical properties

熔点168.5 °C
溶解度1.5 mg/mL
蒸气压0.00000526 [mmHg]
LogP1.41
Collision Cross Section143.6 Ų [M+Na]+
Collision Cross Section136.4 Ų [M+H]+

How this substance is indexed

CAS Registry Number87-51-4
PubChem CID802
分子式C10H9NO2
IUPAC 名称2-(1H-indol-3-yl)acetic acid
UNII(FDA)6U1S09C61L

Documented uses

  • Used as a plant growth regulator; [Merck Index] Active product registrations in the US; [NPIRS]
  • Naturally produced by the body (endogenous). Also a plant growth hormone (auxin).
  • 1H-Indole-3-acetic acid: ACTIVE
  • indoleacetic acid (Class: Other Substances, Added Date: 06-2014)
  • Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins.
  • Indole-3-acetic-acid has known human metabolites that include Indole-3-acetic-acid-O-glucuronide.

Names this substance appears under

indole-3-acetic acid; 87-51-4; 3-Indoleacetic acid; indoleacetic acid; Heteroauxin; 1H-Indole-3-acetic acid; 2-(1H-Indol-3-yl)acetic acid; 1H-indol-3-ylacetic acid; Rhizopin; Rhizopon A; 3-Indolylacetic acid; 3-Iaa; 3-(Carboxymethyl)indole; beta-Indoleacetic acid; beta-Indolylacetic acid; Indolyl-3-acetic acid

Computed molecular descriptors

分子量175.18
XLogP31.4
氢键供体数2
氢键受体数2
可旋转键数2
精确质量175.063328530
单同位素质量175.063328530
拓扑极性表面积53.1
重原子数13
形式电荷0

Database abstract

3-Indoleacetic Acid · CAS 87-51-4 · C10H9NO2. UNII 6U1S09C61L. 熔点: 168.5 °C; 溶解度: 1.5 mg/mL; 蒸气压: 0.00000526 [mmHg].

Source: PubChem / Wikidata; the batch COA governs where values differ.

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