Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5'-Adenylic acid, 5'®P:5'''®P'-dianhydride withP,P'-(chloromethylene)bis[phosphonic acid]
4133-34-0 structure

5'-Adenylic acid, 5'®P:5'''®P'-dianhydride withP,P'-(chloromethylene)bis[phosphonic acid]

Iupac Name:7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CAS No.:4133-34-0
Molecular Weight:176.215
Molecular Formula:C7H14O (isomer)
Names and Identifiers
Synonyms

5'-Adenylicacid, 5'® beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate P:5'''® P'-dianhydride with (chloromethylene)bis[phosphonicacid] (9CI)

Inchi
InChI=1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChkey
XEAPZXNZOJGVCZ-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(CCC(=O)C2)C=C1
Properties
Density
1.51
Melting Point
27 - 28
Boiling Point
739°Cat760mmHg
Refractive Index
1.559-1.563
Flash Point
429.4°C
HS Code
2914509090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
Transport
200kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:176.215g/mol
  • Molecular Formula:C7H14O
  • Compound Is Canonicalized:True
  • Exact Mass:176.084
  • Monoisotopic Mass:176.084
  • Complexity:200
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:13
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgAAAAAADASAmAIyBoAABACI AqBSAAACCAAgIAAIiAEGCIgMJjKENRqAMCAkwBEIqAeIzLDOoAABAAAQAABAAAIAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
 
<