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Home> Hot Product Listed M   > MOLPORT-005-321-507
18306-29-1 structure

MOLPORT-005-321-507

Iupac Name:bis(trimethylsilyl) sulfate
CAS No.:18306-29-1
Molecular Weight:242.436
Molecular Formula:C14H23N7O3 (isomer)
Names and Identifiers
Synonyms

2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-n-(2,3-dichlorophenyl)acetamide 2-{[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-n-(2,3-dichlorophenyl)acetamide AC1MQ3HW MCULE-5212378441 Z25217556 ZINC9631930

Inchi
InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3
InChkey
KRUQDZRWZXUUAD-UHFFFAOYSA-N
Canonical Smiles
C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C
Properties
Melting Point
47-50℃
Vapour
0.0622mmHg at 25°C
Refractive Index
1.425
HS Code
29319090
Safety and Handling
Risk Statements
R11;R34
Safety Statements
S16;S25;S33;S9
HazardClass
4.1
PackingGroup
III
Transport
UN 2925 4
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 18306-29-1 EC: MOLPORT-005-321-507 ·ECHA C&L Inventory for CAS: CAS: 18306-29-1 EC: MOLPORT-005-321-507
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

Response

P370+P378 In case of fire: Use ... to extinguish.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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:242.436g/mol
  • Molecular Formula:C14H23N7O3
  • Compound Is Canonicalized:True
  • Exact Mass:242.046
  • Monoisotopic Mass:242.046
  • Complexity:232
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61A^2
  • Heavy Atom Count:13
  • 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: AAADceBgOAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEBAAAEAAAAAAAABCAAAAAAEA AAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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