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Home> Encyclopedia > Hot Product Listed B   > bopindolol
42831-50-5 structure

bopindolol

Iupac Name:5-methyl-1,2-oxazole-4-carboxylic acid
CAS No.:42831-50-5
Molecular Weight:127.099
Molecular Formula:C19H27CLN2O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)
InChkey
VQBXUKGMJCPBMF-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=NO1)C(=O)O
Properties
Density
1.16
Melting Point
145-147℃
Boiling Point
453.7°Cat760mmHg
Flash Point
°C
HS Code
2934999090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S26;S36/37/39
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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

Response

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

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:127.099g/mol
  • Molecular Formula:C19H27CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:127.027
  • Monoisotopic Mass:127.027
  • Complexity:125
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.3A^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: AAADcYBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAECAAADATBmgQujJAQAgCp ApD3SgCAAAAkIAAgGCEkTFoAJxwIgIAAUcBHIAgAUcAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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