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Home> Hot Product Listed T   > T6538097
1003-78-7 structure

T6538097

Iupac Name:2,4-dimethylthiolane 1,1-dioxide
CAS No.:1003-78-7
Molecular Weight:148.22
Molecular Formula:C14H19NO5S (isomer)
Names and Identifiers
Synonyms

MCULE-9837444416 MOLPORT-009-554-298 n-[3-(3,5-dimethyl-1h-pyrazol-1-yl)-2-methylpropyl]-2-methoxypyridine-3-carboxamide Z435607240

Inchi
InChI=1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3
InChkey
WKFQMDFSDQFAIC-UHFFFAOYSA-N
Canonical Smiles
CC1CC(S(=O)(=O)C1)C
Properties
Melting Point
?3 °C(lit.)
Vapour
0.00688mmHg at 25°C
Refractive Index
n20/D 1.473(lit.)
Safety and Handling
Risk Statements
R25
Safety Statements
Poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by skin contact. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of SOx. See also SULFATES.
Transport
UN 2810 6
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1003-78-7 EC: T6538097 ·ECHA C&L Inventory for CAS: CAS: 1003-78-7 EC: T6538097
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:148.22g/mol
  • Molecular Formula:C14H19NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:148.056
  • Monoisotopic Mass:148.056
  • Complexity:188
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGAQAAAAADQCEQACCAAAAAAoA AAAAAHBAAAAAABAAAAAAAAAAAAIgAAAAAAAAAAAgAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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