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Home> Hot Product Listed A   > Antimony, difluorotriphenyl-
13790-39-1 structure

Antimony, difluorotriphenyl-

Iupac Name:4-chloro-6,7-dimethoxyquinazoline
CAS No.:13790-39-1
Molecular Weight:224.644
Molecular Formula:C4H6CLF3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3
InChkey
LLLHRNQLGUOJHP-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
Properties
Melting Point
185℃
Vapour
0mmHg at 25°C
Refractive Index
1.605
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 13790-39-1 EC: Antimony, difluorotriphenyl- ·ECHA C&L Inventory for CAS: CAS: 13790-39-1 EC: Antimony, difluorotriphenyl-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:224.644g/mol
  • Molecular Formula:C4H6CLF3
  • Compound Is Canonicalized:True
  • Exact Mass:224.035
  • Monoisotopic Mass:224.035
  • Complexity:218
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.2A^2
  • Heavy Atom Count:15
  • 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: AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIAAAAADA6BniY31vYIFACg AyRjZACCiCkxJqAB2CA+7piNLqLF+tuENCpuwBtK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAA AA==
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