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2-(2,6-dichlorobenzyl)-4-methyl-2H-thieno[3,4-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide structure
2-(2,6-dichlorobenzyl)-4-methyl-2H-thieno[3,4-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide structure

2-(2,6-dichlorobenzyl)-4-methyl-2H-thieno[3,4-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide

Iupac Name:beryllium;difluoride
CAS No.:7787-49-7
Molecular Weight:47.009
1. Names and Identifiers
1.1 Name
2-(2,6-dichlorobenzyl)-4-methyl-2H-thieno[3,4-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
1.2 Synonyms

2-((2,6-dichlorophenyl)methyl)-4-methylthiopheno(3,4-e)1,2,4-thiadiazaperhydroine-1,1,3-trione 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1,1-dioxo-thieno[3,4-e][1,2,4]thiadiazin-3-one 2-[(2,6-dichlorophenyl)methyl]-4-methyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one 2-[(2,6-dichlorophenyl)methyl]-4-methylthiopheno[3,4-e]1,2,4-thiadiazaperhydroine-1,1,3-trione 2h-thieno(3,4-e)-1,2,4-thiadiazin-3(4h)-one, 2-((2,6-dichlorophenyl)methyl)-4-methyl-, 1,1-dioxide 2h-thieno[3,4-e]-1,2,4-thiadiazin-3(4h)-one, 2-[(2,6-dichlorophenyl)methyl]-4-methyl-, 1,1-dioxide AC1LAO8C AC1Q3SQ6 CHEMBL133056 CTK4E6937 DTXSID40175802

1.3 CAS No.
7787-49-7
1.4 CID
24589
1.5 Molecular Formula
C13H22O2 (isomer)
1.6 Inchi
InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2
1.7 InChkey
JZKFIPKXQBZXMW-UHFFFAOYSA-L
1.8 Canonical Smiles
[Be+2].[F-].[F-]
1.9 Isomers Smiles
[Be+2].[F-].[F-]
2. Properties
3.1 Density
1.744
3.2 Melting Point
545℃
3.3 Boiling Point
552.9°C at 760 mmHg
3.4 Flash Point
293.1°C
3. Safety and Handling
4.1 Risk Statements
R25;R26;R36/37/38;R43;R48/23;R49;R51/53
4.2 Safety Statements
S45;S53;S61
4.3 HazardClass
6.1
4.4 PackingGroup
II
4.5 Transport
UN1566
4. 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

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H330 Fatal if inhaled

H350 May cause cancer

H372 Causes damage to organs through prolonged or repeated exposure

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:47.009g/mol
  • Molecular Formula:C13H22O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:47.0089894
  • Monoisotopic Mass:47.0089894
  • Complexity:2.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0
  • Heavy Atom Count:3
  • 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:3
6. Question & Answer
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