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Home> Hot Product Listed T   > T6464755
71749-03-6 structure

T6464755

Iupac Name:(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CAS No.:71749-03-6
Molecular Weight:154.165
Molecular Formula:C24H24N4OS (isomer)
Names and Identifiers
Synonyms

3-(3-iodophenyl)-1-[1-(pyridin-4-yl)ethyl]urea MCULE-6806842464 MOLPORT-009-312-052 Z410005126

Inchi
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m1/s1
InChkey
MUTGBJKUEZFXGO-PHDIDXHHSA-N
Canonical Smiles
C1CCC2C(C1)C(=O)OC2=O
Properties
Melting Point
165 °C
Refractive Index
85 ° (C=1, Dioxane)
Safety and Handling
Risk Statements
41-42/43
Safety Statements
23-24-26-37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 71749-03-6 EC: T6464755 ·ECHA C&L Inventory for CAS: CAS: 71749-03-6 EC: T6464755
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Serious eye damage, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

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.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

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

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

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

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

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:154.165g/mol
  • Molecular Formula:C24H24N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:154.063
  • Monoisotopic Mass:154.063
  • Complexity:187
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:2
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgAAAAAGgAAAAAADQCAgAAACAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGLyKCOgAAAAAAAAAAAAAAAACAAAAAAAAAA AA==
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