Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Custom Manufacturing
1h-pyrrolo[2,3-b]pyridine, 5-(methylthio)-2-propyl- structure
1h-pyrrolo[2,3-b]pyridine, 5-(methylthio)-2-propyl- structure

1h-pyrrolo[2,3-b]pyridine, 5-(methylthio)-2-propyl-

Iupac Name:7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CAS No.: 22246-18-0
Molecular Weight:163.17
Modify Date.: 2022-03-09 06:08
1. Names and Identifiers
1.1 Name
1h-pyrrolo[2,3-b]pyridine, 5-(methylthio)-2-propyl-
1.2 CAS No.
22246-18-0
1.3 CID
2785758
1.4 Molecular Formula
C10H10ClNOS2 (isomer)
1.5 Inchi
InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
1.6 InChkey
LKLSFDWYIBUGNT-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CC(=O)NC2=C1C=CC(=C2)O
1.8 Isomers Smiles
C1CC(=O)NC2=C1C=CC(=C2)O
2. Properties
3.1 Melting point
233-237 °C
3.1 Refractive index
1.604
3.1 Vapour pressure
4.28E-07mmHg at 25°C
3.1 Precise Quality
163.06300
3.1 PSA
49.33000
3.1 logP
1.41490
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
22-43
4.1 Safety Statements
36/37
4.1 Hazard Declaration
H302-H317
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P280
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 163.17g/mol
  • Molecular Formula: C10H10ClNOS2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 0.7
  • Exact Mass: 163.063328530
  • Monoisotopic Mass: 163.063328530
  • Complexity: 193
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 49.3
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQCAAADAyBmAAwxoLAAgCIAiVSUACCAAAhIgAIiAEGbIgIJjLCkZOEcAhm1BnI2AeY2aOeIAAAAgACAABAAAAEAAQAAAAAAAAAAA==
6. Recommended Suppliers
Global282SuppliersView all >>
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-19930599843
  • Email:cindy@hbyingong.com
3,4-Dihydro-7-hydroxy-2(1H)-quinolinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 200 USD/kilogram
  • Time: 2022/08/18
Inquire
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
3,4-Dihydro-7-hydroxy-2(1H)-quinolinone CAS NO.22246-18-0 high purity best price spot goods
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 9.9 USD/kg
  • Time: 2022/08/12
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
7-hydroxy-3,4-dihydro-1H-quinolin-2-one CAS 22246-18-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-0000-+8619932103556
  • Email:estella@ylbosstech.com
7-hydroxy-3,4-dihydro-1H-quinolin-2-one CAS 22246-18-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/03/03
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-156-33831222
  • Email:xing@yan-xi.com
3,4-Dihydro-7-hydroxy-2(1H)-quinolinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/08/19
Inquire
7. Realated Product Infomation