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Home> Hot Product Listed 1   > 1H-Benzimidazole,2-(1H-tetrazol-5-yl)-(9CI)
7778-77-0 structure

1H-Benzimidazole,2-(1H-tetrazol-5-yl)-(9CI)

CAS No.:7778-77-0
Molecular Weight:136.085541
Molecular Formula:C11H21N (isomer)
Names and Identifiers
Synonyms

2-(1h-tetrazol-5-yl)-1h-benzo[d]imidazole 2-(1h-tetrazole-5-yl)-1h-benzoimidazole SCHEMBL12822334 SCHEMBL7025005

Inchi
InChI=1/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChkey
GNSKLFRGEWLPPA-UHFFFAOYSA-M
Canonical Smiles
OP(=O)(O)[O-].[K+]
Properties
Melting Point
252.6℃
Flash Point
129.5°C
HS Code
28352400
Safety and Handling
Risk Statements
R36/38
Safety Statements
S24/25
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100000_1000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Abbott Diagnostics GmbH 2015
Anorel NV 2017
Avantor Performance Materials Poland S.A. 2016
more >
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:136.085541g/mol
  • Molecular Formula:C11H21N
  • Exact Mass:135.932777
  • Monoisotopic Mass:135.932777
  • Complexity:61.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.6
  • Heavy Atom Count:6
  • 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:2
 
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