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Home> Hot Product Listed T   > T6598895
2199-43-1 structure

T6598895

Iupac Name:ethyl 1H-pyrrole-2-carboxylate
CAS No.:2199-43-1
Molecular Weight:139.154
Molecular Formula:C19H23N3O2S (isomer)
Names and Identifiers
Synonyms

1-{2-[ethyl(3-methylphenyl)amino]ethyl}-3-(2-methoxypyridin-3-yl)urea MCULE-9879664135 MOLPORT-009-325-383 Z435644978 ZINC40121644

Inchi
InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChkey
PAEYAKGINDQUCT-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC=CN1
Properties
Melting Point
37-39°C
Vapour
0.0302mmHg at 25°C
Refractive Index
1.519
Safety and Handling
Safety Statements
S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:139.154g/mol
  • Molecular Formula:C19H23N3O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:139.063
  • Monoisotopic Mass:139.063
  • Complexity:125
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.1A^2
  • Heavy Atom Count:10
  • 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: AAADccBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQAAAACAjhlgY+iJLJlACo ATT3TASCgCA3AiAI2aG4bNgKJvLAtbmHEQhk0AHY6YaYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-21-34226250
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