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Indoxyl

Indoxyl structure

CAS No:
480-93-3
Formula:
C8H7NO
Chemical Name:
Indoxyl
Synonyms:
1H-Indol-3-ol;Indol-3-ol;Indoxyl;3-Hydroxyindole
Categories:
Organic Chemistry > Heterocyclic Ring

Description

1H-INDOL-3-OL is green shiny needles

Solid

Indoxyl is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3. It is a member of hydroxyindoles and a heteroaryl hydroxy compound.

Indoxyl Basic Attributes

Molecular Weight：

133.147

Exact Mass：

133.15

HScode：

2933990090

Characteristics

PSA：

36.02000

XLogP3：

1.41

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

85-87 °C

Boiling Point：

343.2±15.0 °C at 760 mmHg

Flash Point：

161.4±20.4 °C

Refractive Index：

1.739

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P361, P363, P391, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

Indoxyl is a known human metabolite of indole.

MeSH Entry Terms：

1H-indol-3-ol

Indoxyl Use and Manufacturing

1H-INDOL-3-OL is a mutation product of toluene-4-monooxygenase (T4MO), that gets spontaneously converted to indigo. Used in the preparation of indolyl-oxadiazoles with anticonvulsant activity.

Computed Properties

Molecular Weight:133.15
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:36
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 480-93-3

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1H-INDOL-3-OL

CAS No.: 480-93-3

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Content: 99%

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