Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Dyestuffs  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others  /  Catalyst and Auxiliary
Propanedinitrile, [1-(1,1-dimethylethyl)-3-methyl-4-pentenylidene]- structure
Propanedinitrile, [1-(1,1-dimethylethyl)-3-methyl-4-pentenylidene]- structure

Propanedinitrile, [1-(1,1-dimethylethyl)-3-methyl-4-pentenylidene]-

Iupac Name:2-methylanthracene-9,10-dione
CAS No.:84-54-8
Molecular Weight:222.2387
1. Names and Identifiers
1.1 Name
Propanedinitrile, [1-(1,1-dimethylethyl)-3-methyl-4-pentenylidene]-
1.2 CAS No.
84-54-8
1.3 CID
6773
1.4 Molecular Formula
C20H23NOS (isomer)
1.5 Inchi
InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
1.6 InChkey
NJWGQARXZDRHCD-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
1.8 Isomers Smiles
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
2. 3D Conformer
3. Properties
3.1 Melting Point
168℃
3.2 Refractive Index
1.644 
4. Safety and Handling
4.1 Risk Statements
R51/53
4.2 Safety Statements
S24/25
4.3 HazardClass
5.2
4.4 Transport
25kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:222.2387g/mol
  • Molecular Formula:C20H23NOS
  • XLogP3-AA:3.9
  • Exact Mass:222.06808
  • Monoisotopic Mass:222.06808
  • Complexity:347
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:17
  • 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
8. Recommended Suppliers
Global78SuppliersView all >>
  • Products:Chemical raw materials, pharmaceutical intermediates 4f-adb;5cl-adb-a;eutylone;U48800;BK-EBDP;SGT78
  • Tel:+86-0311-13373049538
  • Email:admin@sunton88.com
RECH 2-Methyl anthraquinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 125 USD/Kilogram
  • Time: 2021/05/11
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 2-methylanthraquinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
2-Methylanthraquinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/04/06
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
2-Methylanthraquinone CAS 69-65-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2021/06/30
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
2-Methyl anthraquinone
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/01/07
Inquire