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Home> Hot Product Listed T   > T6438242
28286-79-5 structure

T6438242

Iupac Name:3-(hydroxymethyl)benzoic acid
CAS No.:28286-79-5
Molecular Weight:152.14732
Molecular Formula:C17H15F2N3O4 (isomer)
Names and Identifiers
Synonyms

MCULE-4097063740 MOLPORT-009-289-220 n-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-yl)propanamide Z364199476 ZINC40074137

Inchi
InChI=1/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)
Canonical Smiles
C1=CC(=CC(=C1)CO)C(=O)O
Properties
Vapour
9.43E-06mmHg at 25°C
Refractive Index
1.6
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

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.

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:152.14732g/mol
  • Molecular Formula:C17H15F2N3O4
  • XLogP3-AA:0.8
  • Exact Mass:152.047344
  • Monoisotopic Mass:152.047344
  • Complexity:144
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5
  • Heavy Atom Count:11
  • 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
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Recommended Suppliers
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  • Fax:86-21-33250189
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