Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Organic Intermediate  /  Agrochemical Intermediates
3-(tert-butyl)-1-ethyl-1H-pyrazol-5-ol structure
3-(tert-butyl)-1-ethyl-1H-pyrazol-5-ol structure

3-(tert-butyl)-1-ethyl-1H-pyrazol-5-ol

Iupac Name:5-bromo-2-ethylpyridine
CAS No.: 38749-90-5
Molecular Weight:186.05
Modify Date.: 2021-09-01 07:04
1. Names and Identifiers
1.1 Name
3-(tert-butyl)-1-ethyl-1H-pyrazol-5-ol
1.2 Synonyms

1H-Pyrazol-5-ol, 3-(1,1-dimethylethyl)-1-ethyl-

1.3 CAS No.
38749-90-5
1.4 CID
13979736
1.5 Molecular Formula
C14H9F6N (isomer)
1.6 Inchi
InChI=1S/C7H8BrN/c1-2-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
1.7 InChkey
JFTFIPSATYUJLB-UHFFFAOYSA-N
1.8 Canonical Smiles
CCC1=NC=C(C=C1)Br
1.9 Isomers Smiles
CCC1=NC=C(C=C1)Br
2. Properties
3.1 Density
1.085±0.06 g/cm3(Predicted)
3.1 Refractive index
1.544
3.1 Precise Quality
184.98400
3.1 PSA
12.89000
3.1 logP
2.40650
3.1 pKa
9.16±0.28(Predicted)
3. Computational chemical data
  • Molecular Weight: 186.05g/mol
  • Molecular Formula: C14H9F6N
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.4
  • Exact Mass: 184.98401
  • Monoisotopic Mass: 184.98401
  • Complexity: 85
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 12.9
  • 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
4. Recommended Suppliers
Global29SuppliersView all >>
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
5-bromo-2-ethylpyridine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
Inquire
  • Tel:86-025-84106591
Pyridine, 5-bromo-2-ethyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/26
Inquire
  • Products:Pharmaceutical intermediates
  • Tel:86-573-85280080
Pyridine, 5-bromo-2-ethyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/26
Inquire
  • Products:all kinds of fine chemicals, APIs, Bio-chemicals, from grams to kilograms, and larger scale. both with compounds in stock and custom synthesis.
  • Tel:86-512-63009836
Pyridine,5-bromo-2-ethyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/12/15
Inquire
  • Products:Indole products,Amines products
  • Tel:86-312-18103315327
5-Bromo-2-ethylpyridine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/12/13
Inquire