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Home> Encyclopedia > Hot Product Listed B   > Benzo[b]thiophene,1,1-dioxide
825-44-5 structure

Benzo[b]thiophene,1,1-dioxide

Iupac Name:1-benzothiophene 1,1-dioxide
CAS No.:825-44-5
EINECS(EC#): 212-544-8
Molecular Weight:166.194
Molecular Formula:C8H6O2S (isomer)
Properties
Appearance
White to cream colored powder
Density
1.403
Melting Point
137-138℃
Boiling Point
371.1°C at 760 mmHg
Refractive Index
1.64
Flash Point
244°C
HS Code
2934999090
Safety and Handling
Safety Statements
S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:166.194g/mol
  • Molecular Formula:C8H6O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:166.009
  • Monoisotopic Mass:166.009
  • Complexity:271
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.5A^2
  • Heavy Atom Count:11
  • 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: AAADcYBwMABAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAEABAAAAGAQAAAAADACEWACwAYAAAAqA AiBCAHBCAAAgCBAIiBgAAIgIICKgERCAIAAggAAIiAcAgAAOAAAAAAAEAAAAAAAAAAgAAAAAAAAA AA==
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