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Home> Hot Product Listed 2   > 2-(IODOMETHYL)PHENOL
52829-07-9 structure

2-(IODOMETHYL)PHENOL

Iupac Name:bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CAS No.:52829-07-9
Molecular Weight:480.734
Molecular Formula:C10H18O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3
InChkey
XITRBUPOXXBIJN-UHFFFAOYSA-N
Canonical Smiles
CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C
Properties
Melting Point
82-85℃
HS Code
29333990
Safety and Handling
Risk Statements
R23;R37/38;R41
Safety Statements
S26;S39;S45
HazardClass
6.1
PackingGroup
II
Transport
UN 2811
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 1000PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
Addivant Germany GmbH 2012
BASF Lampertheim GmbH 2015
BASF SE 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P273 Avoid release to the environment.

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

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:480.734g/mol
  • Molecular Formula:C10H18O2
  • Compound Is Canonicalized:True
  • Exact Mass:480.393
  • Monoisotopic Mass:480.393
  • Complexity:594
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:76.7A^2
  • Heavy Atom Count:34
  • 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: AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAAAAAAHgAQAAAADJyhgAICCALABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAgAAGAAAGEACAAAGYyOCMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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