3-吲哚甲醇

Description

Indole-3-carbinol · CAS 700-06-1 · C9H9NO. UNII C11E72455F. Melting Point: 90 °C.

Identification

CAS Registry Number	700-06-1
PubChem CID	3712
Molecular formula	C9H9NO
IUPAC name	1H-indol-3-ylmethanol
UNII (FDA)	C11E72455F

Computed Descriptors

Molecular Weight	147.17
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	147.068413911
Monoisotopic Mass	147.068413911
Topological Polar Surface Area	36
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	90 °C

Physical description & handling notes

• Solid
• 7 [ug/mL] (The mean of the results at pH 7.4)
• 122.38 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H315 (97.8%), H319 (100%)

Documented Uses

• indole-3-carbinol (Class: Other Substances, Added Date: 06-2014)
• Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.

Synonyms

Indole-3-carbinol; 700-06-1; INDOLE-3-METHANOL; 3-Hydroxymethylindole; 1H-Indole-3-methanol; 1H-indol-3-ylmethanol; 3-Indolylcarbinol; DTXSID7031458; Indole 3-carbinol; NSC-525801; C11E72455F; DTXCID5011458; CHEBI:24814; I3C cpd; RefChem:148195; 211-836-2

Frequently Asked Questions

What are the CAS number and molecular formula of Indole-3-carbinol?

CAS 700-06-1; molecular formula C9H9NO; molecular weight — g/mol.

What other names is Indole-3-carbinol known by?

Indole-3-carbinol, 700-06-1, INDOLE-3-METHANOL, 3-Hydroxymethylindole, 1H-Indole-3-methanol, 1H-indol-3-ylmethanol.

Is Indole-3-carbinol classified as hazardous?

Hazard statements reported: H315, H319.

What are the key physical properties of Indole-3-carbinol?

Melting Point: 90 °C.

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.