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Home> Hot Product Listed Z   > ZINC49517971
2293-75-6 structure

ZINC49517971

Iupac Name:(2-methoxyphenyl) carbonochloridate
CAS No.:2293-75-6
Molecular Weight:186.591
Molecular Formula:C13H16N6O3 (isomer)
Names and Identifiers
Synonyms

3-(2-methanesulfonylethyl)-1-[2-(2-methylphenyl)ethyl]urea AKOS008146313 MCULE-5360984160 MOLPORT-010-217-903 Z805817266

Inchi
InChI=1S/C8H7ClO3/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5H,1H3
InChkey
VDLQSPNQAVRJND-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC=C1OC(=O)Cl
Properties
Vapour
0.0322mmHg at 25°C
Refractive Index
n20/D 1.519(lit.)
Safety and Handling
Risk Statements
25-34
Safety Statements
Hazard Codes T,CRisk Statements 25-34Safety Statements 26-36/37/39-45RIDADR UN 3277 6.1/PG 2 WGK Germany 3
Transport
UN 3277 6.1/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

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

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

P330 Rinse mouth.

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/…

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:186.591g/mol
  • Molecular Formula:C13H16N6O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:186.008
  • Monoisotopic Mass:186.008
  • Complexity:160
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^2
  • Heavy Atom Count:12
  • 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: AAADcYBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAACASAkAIyDoAABACI ACBKCAACCAAgIAAIiAAGiIgNJiKEMRqAMiIkwBEKqAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAA AA==
 
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