Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Others
2-(1H-PYRAZOL-3-YL)ACETONITRILE structure
2-(1H-PYRAZOL-3-YL)ACETONITRILE structure

2-(1H-PYRAZOL-3-YL)ACETONITRILE

Iupac Name:3-chloro-9,10-dioxoanthracene-2-carboxylic acid
CAS No.:84-32-2
Molecular Weight:286.667
Modify Date.:2022-02-11
1. Names and Identifiers
1.1 Name
2-(1H-PYRAZOL-3-YL)ACETONITRILE
1.2 Synonyms

(1H-Pyrazol-3-yl)-acetonitrile 1H-Pyrazole-3-acetonitrile 2-(1H-pyrazol-5-yl)acetonitrile 3-Cyanomethylpyrazole 3-Pyrazolylacetonitrile

1.3 CAS No.
84-32-2
1.4 CID
66529
1.5 Molecular Formula
C9H11NaO4 (isomer)
1.6 Inchi
InChI=1S/C15H7ClO4/c16-12-6-10-9(5-11(12)15(19)20)13(17)7-3-1-2-4-8(7)14(10)18/h1-6H,(H,19,20)
1.7 InChkey
DHDYWKZMHZPMFZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)C(=O)O
1.9 Isomers Smiles
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)C(=O)O
2. Properties
3.1 Melting point
276-278 °C
3.1 Boiling point
335.7°C at 760 mmHg
3.1 Refractive index
1.694
3.1 Flash Point
209.846°C
3.1 Precise Quality
286.00300
3.1 PSA
71.44000
3.1 logP
2.81360
3.1 Solubility
微溶 (5.6 g/L) (25 oC),
3. Computational chemical data
  • Molecular Weight:286.667g/mol
  • Molecular Formula:C9H11NaO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:286.0032864
  • Monoisotopic Mass:286.0032864
  • Complexity:461
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:71.4
  • Heavy Atom Count:20
  • 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
Global5SuppliersView all >>
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
3-CHLOROANTHRAQUINONE-2-CARBOXYLIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Products:building blocks, synthetic intermediates, custom synthesis
  • Tel:1-631-5046093
2-CHLOROANTHRAQUINONE-3-CARBOXYLIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price: Inquiry USD/gram
  • Time: 2016/03/29
Inquire
  • Tel:1-847-2819822
2-CHLOROANTHRAQUINONE-3-CARBOXYLIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:2035740075
2-CHLOROANTHRAQUINONE-3-CARBOXYLIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
2-CHLOROANTHRAQUINONE-3-CARBOXYLIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire