Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical
Indoline structure
Indoline structure

Indoline

Iupac Name:2,3-dihydro-1H-indole
CAS No.:496-15-1
Molecular Weight:119.167
Introduction: As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists. View more+
1. Names and Identifiers
1.1 Name
Indoline
1.2 Synonyms

1-Azaindan 1H-Indole, 2,3-dihydro- 2,3-dihydro-1H-1-indole 2,3-dihydro-1h-indol 2,3-DIHYDRO-1H-INDOLE 2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE 2,3-DIHYDROINDOLE Dihydroindole EINECS 207-816-8 IDN Indoline in stock Factory LABOTEST-BB LT01605668 MFCD00005705 TIMTEC-BB SBB004291 trans-dihydroindole

1.3 CAS No.
496-15-1
1.4 CID
10328
1.5 EINECS(EC#)
207-816-8
1.6 Molecular Formula
C8H9N (isomer)
1.7 Inchi
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
1.8 InChkey
LPAGFVYQRIESJQ-UHFFFAOYSA-N
1.9 Canonical Smiles
C1CNC2=CC=CC=C21
1.10 Isomers Smiles
C1CNC2=CC=CC=C21
2. Properties
3.1 Density
1.063
3.1 Melting point
-21℃
3.1 Boiling point
228-230℃
3.1 Refractive index
1.592-1.594
3.1 Flash Point
92℃
3.1 Vapour pressure
0.0783mmHg at 25°C
3.1 Precise Quality
119.07300
3.1 PSA
12.03000
3.1 logP
1.79260
3.1 Solubility
5g/l
3.2 Appearance
clear to yellow liquid
3.3 Chemical Properties
Clear colorless to slightly brown liquid
3.4 Color/Form
clear dark brown
3.5 pKa
5.20±0.20(Predicted)
3.6 Water Solubility
5 g/L (20 oC)
3.7 Stability
Stable under normal temperatures and pressures.
3.8 StorageTemp
Keep in dark place,Sealed in dry,Room Temperature
3. Use and Manufacturing
4.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 8 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 2 of 8 companies. For more detailed information, please visit ECHA C&L website

Of the 5 notification(s) provided by 6 of 8 companies with hazard statement code(s):

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (83.33%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (83.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (16.67%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
4.2 Storage
Light Sensitive. Ambient temperatures.
4.3 Usage
As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists.
4. Safety and Handling
5.1 Hazard Codes
Xi
5.1 Risk Statements
R36/37/38
5.1 Safety Statements
S26;S37/39
5.1 WGK Germany
3
5.1 RTECS
NL6906300
5.1 Report

Reported in EPA TSCA Inventory.

5.2 Safety

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-37/39-26?
S23:Do not breathe vapour.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: NL6906300
Hazard Note of Indoline (CAS NO.496-15-1): Irritant

5.3 Sensitive
Light Sensitive
5.4 Specification

? Indoline (CAS NO.496-15-1), its Synonyms are 1-Azaindan ; 2,3-Dihydro-1H-indole ; 2,3-Dihydroindole ; 1H-Indole, 2,3-dihydro- . Indoline is an aromatic heterocyclic organic compound. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing ring. The compound is based on the indole structure, but the 2-3 bond is saturated. It is clear colorless to slightly brown liquid.

5.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 238mg/kg (238mg/kg) ? Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
Indole is used in perfumery and in preparing tryptophan, one of the 20 amino acids commonly found in animal proteins. It has important application in the industry of plant growth. It is used to prepare indoleacetic acid (auxin) and other plant growth substances which help the development of roots in plant. Indole and its derivatives are widely used in making perfumes, dyes, agrochemicals and medicines.
9.1 BRN
111915
9.2 Chemical Properties
Clear colorless to slightly brown liquid
9.3 Uses
As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists.
9.4 Uses
Reactant for preparation of:
  • Inhibitors of NOD1-Induced Nuclear Factor-κB Activation
  • Sphingosine-1-phosphate 4(S1P4) receptor antagonists
  • Cytotoxic cell cycle inhibitors
  • 2-Aminopyridines
  • PET agent for imaging of protein kinase C (PKC)
  • Sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes
  • α4β2-Nicotinic acetylcholine receptor-selective partial agonists
  • mGlu4 positive allosteric modulators
  • Bacterial biofilm inhibitors
  • Serotonin 5-HT6 receptor antagonists
10. Computational chemical data
  • Molecular Weight:119.167g/mol
  • Molecular Formula:C8H9N
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:119.073499291
  • Monoisotopic Mass:119.073499291
  • Complexity:101
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
11. Recommended Suppliers
Global176SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
China Fctory supply Indoline CAS 496-15-1
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Indoline.2.3-Dihydroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Indoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Indoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/21
Inquire
  • Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
  • Tel:+86-571-82512721
  • Email:sales@zeerrui.com
Indoline manufature
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/20
Inquire