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Home> Encyclopedia > Hot Product Listed 2   > 2,8,9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane(9CI)
50993-50-5 structure

2,8,9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane(9CI)

Iupac Name:5-azido-1H-pyrazole-4-carboxamide
CAS No.:50993-50-5
EINECS(EC#): 235-913-5
Molecular Weight:152.117
Molecular Formula:C8H11CL2N3O (isomer)
Names and Identifiers
Synonyms

1,3,5-Cyclohexanetriol,cyclic phosphite (1:1) (8CI) 1,3,5-cyclohexanetriyl phosphite 1,3,5-Cyclohexanetriyl phosphite (7CI) 1,5-cyclohexanetriyl phosphite 1-Phospha-2,8,9-trioxaadamantane 2,8, {9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane} 2,8,9-Trioxa-1-phosphaadamantane 2,8,9-Trioxa-1-phosphadamantane 2,8,9-trioxa-1-phosphatricyclo[3.3.1.1(3),?]decane 2,8,9-trioxa-1-phosphatricyclo[3.3.1.1.3,7]decane 2,8,9-trioxa-1-phosphatricyclo[3.3.1.1~3,7~]decane AC1L37RE acm281334 Aids125012 Aids-125012 fch897967 nsc 58580 Nsc58580 PL052952 PUBCHEM8728 SCHEMBL10598729 trioxa-2,8,9 phospha-1 tricyclodecane

Inchi
InChI=1S/C4H4N6O/c5-3(11)2-1-7-8-4(2)9-10-6/h1H,(H2,5,11)(H,7,8)
InChkey
FCKPCCJOYJPLHO-UHFFFAOYSA-N
Canonical Smiles
C1=NNC(=C1C(=O)N)N=[N+]=[N-]
Isomers Smiles
C1=NNC(=C1C(=O)N)N=[N+]=[N-]
Properties
Density
1.27
Boiling Point
419.5°Cat760mmHg
Flash Point
325.2°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:152.117g/mol
  • Molecular Formula:C8H11CL2N3O
  • Compound Is Canonicalized:True
  • Exact Mass:152.045
  • Monoisotopic Mass:152.045
  • Complexity:209
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:86.1A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjoAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAYAAAADADBmgQtsJBjAACq AhN3cACQBAKEgAAUMSEgRFAAAIgAQEAAhIAACAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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