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Home> Hot Product Listed 2   > 2-Propenoic acid,3-(2-methoxy-5-nitrophenyl)-
23356-96-9 structure

2-Propenoic acid,3-(2-methoxy-5-nitrophenyl)-

Iupac Name:[(2S)-pyrrolidin-2-yl]methanol
CAS No.:23356-96-9
Molecular Weight:101.149
Molecular Formula:C18H15N3O8S2 (isomer)
Names and Identifiers
Synonyms

3-(2-Methoxy-5-nitrophenyl)propenoic acid

Inchi
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChkey
HVVNJUAVDAZWCB-YFKPBYRVSA-N
Canonical Smiles
C1CC(NC1)CO
Properties
Vapour
0.0423mmHg at 25°C
Refractive Index
1.4853
Flash Point
85.1°C
Alpha
31 o ((C=1,TOLUENE))
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
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
sanofi chimie 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

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)

H302 Harmful if swallowed

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:101.149g/mol
  • Molecular Formula:C18H15N3O8S2
  • Compound Is Canonicalized:True
  • Exact Mass:101.084
  • Monoisotopic Mass:101.084
  • Complexity:56
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:1
  • 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: AAADccBiIAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYAAALAAgAA AAAAAAAAAAAAAAAAAIAIAAACEAIAgAAEQAAEEACQAACQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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