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Indoxyl acetate

Indoxyl acetate structure

CAS No:
608-08-2
Formula:
C10H9NO2
Chemical Name:
Indoxyl acetate
Synonyms:
1H-Indol-3-ol,3-acetate;Indol-3-ol,acetate (ester);Indoxyl acetate;1H-Indol-3-ol,acetate (ester);Indol-3-ol,acetate;3-Acetoxyindole;3-Indoxyl acetate;3-Indolyl acetate;NSC 13964;1H-Indol-3-yl acetate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

Dark Blue Solid

Indoxyl acetate is a member of indoles.

Indoxyl acetate Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.18

BRN：

143086

EC Number：

210-154-2

NSC Number：

13964

DSSTox ID：

DTXSID6060559

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

Appearance：

Colorless to lilac Glistening Crystals

Density：

1.3±0.1 g/cm3

Melting Point：

129 °C

Boiling Point：

339.1°C at 760 mmHg

Flash Point：

158.9±20.4 °C

Refractive Index：

1.634

Water Solubility：

soluble in ethanol, water, chloroform, dichloromethane and methanol.

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

RTECS Number：

AI3325000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

indoxyl acetate

Indoxyl acetate Use and Manufacturing

Uses

A useful synthetic intermediate

Manufacturing Info：

1H-Indol-3-ol, 3-acetate: ACTIVE

Computed Properties

Molecular Weight:175.18
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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