Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Acid  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Organic Intermediates  /  Pharmaceuticals and Biochemicals
6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine structure
6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine structure

6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine

Iupac Name:1H-indole-5-carboxylic acid
CAS No.:1670-81-1
Molecular Weight:161.16
1. Names and Identifiers
1.1 Name
6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
1.2 CAS No.
1670-81-1
1.3 CID
74280
1.4 Molecular Formula
C25H19NO4S2 (isomer)
1.5 Inchi
InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
1.6 InChkey
IENZCGNHSIMFJE-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC2=C(C=CN2)C=C1C(=O)O
1.8 Isomers Smiles
C1=CC2=C(C=CN2)C=C1C(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
211-213 °C(lit.)
3.2 Vapour
8.6E-08mmHg at 25°C
3.3 Refractive Index
1.5050 (estimate)
4. Safety and Handling
4.1 Risk Statements
36/37/38-21/22
4.2 Safety Statements
22-24/25-36/37/39-26
4.3 HazardClass
IRRITANT
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)

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

6. Computational chemical data
  • Molecular Weight:161.16g/mol
  • Molecular Formula:C25H19NO4S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:161.048
  • Monoisotopic Mass:161.048
  • Complexity:193
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:53.1A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAjBngQ8yPLJkgCo AzT3TACCgCA1AiAI2aE4bNgIJvLAlZGEcQhk0AHI2YeY2eOeCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
8. Recommended Suppliers
Global214SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Good quality Indole-5-carboxylic Acid Cas 1670-81-1 with top purity low pirce
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Gram
  • Time: 2020/01/07
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Indole-5-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Indole-5-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
Indole-5-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/12/18
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
1H-indole-5-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/04/10
Inquire