1H-吲哚-3-乙酸

Description

3-Indoleacetic Acid · CAS 87-51-4 · C10H9NO2. UNII 6U1S09C61L. Melting Point: 168.5 °C; Solubility: 1.5 mg/mL; Vapor Pressure: 0.00000526 [mmHg].

Identification

CAS Registry Number	87-51-4
PubChem CID	802
Molecular formula	C10H9NO2
IUPAC name	2-(1H-indol-3-yl)acetic acid
UNII (FDA)	6U1S09C61L

Computed Descriptors

Molecular Weight	175.18
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	175.063328530
Monoisotopic Mass	175.063328530
Topological Polar Surface Area	53.1
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	168.5 °C
Solubility	1.5 mg/mL
Vapor Pressure	0.00000526 [mmHg]
LogP	1.41
Collision Cross Section	143.6 Ų [M+Na]+
Collision Cross Section	136.4 Ų [M+H]+

Physical description & 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)]

Regulatory Status

GHS notification summary	8.9% (5 / 56)

GHS Hazard Classification

GHS notification summary	8.9% (5 / 56)
Reported hazard statements	H302 (58.9%), H315 (91.1%), H319 (91.1%), H335 (85.7%)

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.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Indoleacetic Acid?

CAS 87-51-4; molecular formula C10H9NO2; molecular weight — g/mol.

What other names is 3-Indoleacetic Acid known by?

indole-3-acetic acid, 87-51-4, 3-Indoleacetic acid, indoleacetic acid, Heteroauxin, 1H-Indole-3-acetic acid.

Is 3-Indoleacetic Acid classified as hazardous?

8.9% of GHS notifications report no hazard classification (5 of 56).

What are the key physical properties of 3-Indoleacetic Acid?

Melting Point: 168.5 °C; Solubility: 1.5 mg/mL; Vapor Pressure: 0.00000526 [mmHg]; LogP: 1.41.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.