Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5,11-Methano-1H,5H,7H,11H-bis[1,2,4]triazolo[1,2-a:1',2'-d][1,2,4,5]tetrazine-1,3,7,9(2H,8H)-tetrone
345-92-6 structure

5,11-Methano-1H,5H,7H,11H-bis[1,2,4]triazolo[1,2-a:1',2'-d][1,2,4,5]tetrazine-1,3,7,9(2H,8H)-tetrone

Iupac Name:bis(4-fluorophenyl)methanone
CAS No.:345-92-6
Molecular Weight:218.198826
Molecular Formula:C4H5NO2 (isomer)
Names and Identifiers
Synonyms

2,3,5,6-Tetraazabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylic2,3:5,6-diimide 5,11-Methano-1H,5H,7H,11H-bis-s-triazolo[1,2-a:1',2'-d]-s-tetrazine-1,3,7,9(2H,8H)-tetrone

Inchi
InChI=1/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChkey
LSQARZALBDFYQZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F
Properties
Density
1.019
Melting Point
106-109℃
Boiling Point
460.6°C at 760 mmHg
Refractive Index
1.544
Flash Point
252.7°C
HS Code
2914700090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
PackingGroup
I; II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:218.198826g/mol
  • Molecular Formula:C4H5NO2
  • XLogP3-AA:3.8
  • Exact Mass:218.054321
  • Monoisotopic Mass:218.054321
  • Complexity:214
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:16
  • 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
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-130-21882412
  • Fax:+86-1561403-3501
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • 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:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-130-21882412
  • Fax:+86-1561403-3501
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • 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:86-755-33239182
  • Fax:86-755-33233381
 
<