Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Custom Manufacturing  /  Organic Intermediates
1,2,3,6-Tetrahydro-4-[2-(1-methylethoxy)phenyl]pyridine structure
1,2,3,6-Tetrahydro-4-[2-(1-methylethoxy)phenyl]pyridine structure

1,2,3,6-Tetrahydro-4-[2-(1-methylethoxy)phenyl]pyridine

Iupac Name:2,3-dihydro-1H-indole-2-carboxylic acid
CAS No.:78348-24-0
Molecular Weight:163.17326
1. Names and Identifiers
1.1 Name
1,2,3,6-Tetrahydro-4-[2-(1-methylethoxy)phenyl]pyridine
1.2 Synonyms

Pyridine, 1,2,3,6-tetrahydro-4-[2-(1-methylethoxy)phenyl]-

1.3 CAS No.
78348-24-0
1.4 CID
86074
1.5 Molecular Formula
C21H31N3O3 (isomer)
1.6 Inchi
InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
1.7 InChkey
QNRXNRGSOJZINA-UHFFFAOYSA-N
1.8 Canonical Smiles
C1C(NC2=CC=CC=C21)C(=O)O
1.9 Isomers Smiles
C1C(NC2=CC=CC=C21)C(=O)O
2. Properties
3.1 Melting point
168℃
3.1 Refractive index
1.598
3.1 Precise Quality
163.06300
3.1 PSA
49.33000
3.1 logP
1.24580
3. Safety and Handling
4.1 Symbol
GHS07, GHS08
4.1 Signal Word
Warning
4.1 Risk Statements
R43
4.1 Safety Statements
22-36/37
4.1 Hazard Declaration
H317-H361
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

Skin sensitization, Category 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:163.17326g/mol
  • Molecular Formula:C21H31N3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:163.063328530
  • Monoisotopic Mass:163.063328530
  • Complexity:193
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global166SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Indoline-2-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
indoline-2-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
Inquire
  • Products:pharmaceutical chemicals and intermediates. including Anticancer,Antifungal,Anesthesia,,such as Bortezomib, apixaban, lidocaine, nifuratel, pregablin, Propofol,Sorafenib tosylate,
  • Tel:86-531-88110457
indoline-2-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 800 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-188-74586545
Indoline-2-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2019/03/26
Inquire
  • Products:API & API intermediates
  • Tel:86-21-33758180
Indoline-2-carboxylic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/02/14
Inquire