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Home> Hot Product Listed 1   > 1-Pyrrolidineethanol, a-[[2-(4-chlorophenoxy)phenoxy]methyl]-,hydrochloride (1:1)
100-21-0 structure

1-Pyrrolidineethanol, a-[[2-(4-chlorophenoxy)phenoxy]methyl]-,hydrochloride (1:1)

Iupac Name:terephthalic acid
CAS No.:100-21-0
Molecular Weight:166.13
Molecular Formula:C20H34O3 (isomer)
Names and Identifiers
Synonyms

1-[2-(4-chlorophenoxy)phenoxy]-3-(pyrrolidin-1-yl)propan-2-ol hydrochloride(1:1) 1-[2-(4-chlorophenoxy)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol hydrochloride 1-Pyrrolidineethanol,a-[[o-(p-chlorophenoxy)phenoxy]methyl]-,hydrochloride (8CI) 2-propanol, 1-(o-(4-chlorophenoxy)phenoxy)-3-pyrrolidinyl-, hydrochloride AC1L4UTE AC1Q3BES CTK4F7639 ether, p-chlorophenyl o-(3-pyrrolidinyl-2-hydroxypropoxy)phenyl, hydrochloride LS-121931

Inchi
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChkey
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(=O)O)C(=O)O
Properties
Density
0.948
Melting Point
300 °C
Vapour
<0.01 mm Hg ( 20 °C)
Refractive Index
1.5100 (estimate)
Flash Point
310.9°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36
PackingGroup
Z01
Transport
无资料?
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  
FULL JOINT 1000000_10000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
ADVANSA GmbH 2016
Artlant PTA, SA 2011
Bantam Materials UK Ltd 2014
more >
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:166.13g/mol
  • Molecular Formula:C20H34O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:166.027
  • Monoisotopic Mass:166.027
  • Complexity:169
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:12
  • 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: AAADcYBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADACAmAAwCIAAAgCI AiDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyDCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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