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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-
7647-15-6 structure

2-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-

Iupac Name:sodium;bromide
CAS No.:7647-15-6
Molecular Weight:102.89
Molecular Formula:C13H14CLNO5 (isomer)
Names and Identifiers
Synonyms

1-(2-chloro-3-hydroxyphenyl)-2-pyrrolidinol 2-Pyrrolidinol, 1-(2-chloro-3-hydroxyphenyl)- DB-079324 SCHEMBL2934910

Inchi
InChI=1S/BrH.Na/h1H;/q;+1/p-1
InChkey
JHJLBTNAGRQEKS-UHFFFAOYSA-M
Canonical Smiles
[Na+].[Br-]
Isomers Smiles
[Na+].[Br-]
Properties
Melting Point
755 °C(lit.)
Boiling Point
363.6ºC at 760 mmHg
Vapour
1 mm Hg ( 806 °C)
Refractive Index
1.6412
HS Code
28275100
Safety and Handling
Risk Statements
36/37/38
Safety Statements
24/25-25-36-26-22
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:102.89g/mol
  • Molecular Formula:C13H14CLNO5
  • Compound Is Canonicalized:True
  • Exact Mass:101.908
  • Monoisotopic Mass:101.908
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:2
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcQAAACAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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