CAS RN: 120-72-9
Indole
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock3 grade groups
- Product code: SSC-020800
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >98% | 5 In Stock | Shanghai | Inquiry |
120-72-9 / 1H-indole
indole | 1H-Indole | 2,3-Benzopyrrole
Basic Information
CAS
120-72-9
Multi CAS
Yes
Molecular Formula
C8H7N
Molecular Weight
117.150000
Exact Mass
117.057849
SMILES
C1=CC=C2C(=C1)C=CN2
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-N
Synonyms
indole
1H-Indole
2,3-Benzopyrrole
Indol
1-Benzazole
Physical Properties
Melting Point
52 °C
Heat of Formation= 1.5660X10+8 J/kmol; Heat of Fusion at the Melting Point= 9.0000X10+6 J/kmol
52.5 °C
Boiling Point
253 °C @ 762 mm Hg; 128-133 °C @ 28 mm Hg
253.00 to 254.00 °C. @ 760.00 mm Hg
Density
1.22 g/cu cm at 25 °C
Physical Description
White to yellowish solid with an unpleasant odor; Pleasant odor in dilute solutions; Turns red when exposed to light or air; [Hawley] White or yellow crystalline powder;
Solid
White lustrous, flakey crystalline solid; Unpleasant odour at high concentration, odour becomes floral at higher dilutions
Appearance
LEAFLETS (WATER, PETROLEUM), CRYSTALS (ETHER)
Colorless to yellowish scales, turning red on exposure to light and air.
WHITE CRYSTALLINE SOLID
Colorless, shiny flakes
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
38.3
TPSA
15.79
LogP / Solubility
WLOGP
2.17
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (99%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H318 (11.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement Codes
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P361+P364, P405, and P501
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, and P501
