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Home> Hot Product Listed E   > EU-0068687
80841-78-7 structure

EU-0068687

Iupac Name:4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
CAS No.:80841-78-7
Molecular Weight:148.542
Molecular Formula:C11H13NO4 (isomer)
Names and Identifiers
Synonyms

AKOS001484984 CL 5620 MOLPORT-000-518-996 n-(2-methyl-4-nitrophenyl)(2-oxochromen-3-yl)carboxamide n-(2-methyl-4-nitrophenyl)-2-oxo-2h-chromene-3-carboxamide OPREA1_427506 ST080029 STK411112 STOCK2S-60379 ZINC3958823

Inchi
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChkey
QCLFSYYUWPUWQR-UHFFFAOYSA-N
Canonical Smiles
CC1=C(OC(=O)O1)CCl
Properties
Refractive Index
1.481
Safety and Handling
Risk Statements
R22
Safety Statements
S26
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHINOIN Pharmaceutical and Chemical Works Private Co. Ltd. 2013
Krka, d. d., Novo mesto 2017
more >
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:148.542g/mol
  • Molecular Formula:C11H13NO4
  • Compound Is Canonicalized:True
  • Exact Mass:147.993
  • Monoisotopic Mass:147.993
  • Complexity:173
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^2
  • Heavy Atom Count:9
  • 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: AAADcYBgMAAEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgIAAAAACAeAgEACCAAABACI AABACAAACAAAIAAACAAAAQAQAAAAAAAgAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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