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Home> Hot Product Listed F   > F1166-0022
8047-67-4 structure

F1166-0022

Iupac Name:iron;2,3,4,5-tetrahydroxyhexanedioic acid
CAS No.:8047-67-4
Molecular Weight:265.983
Molecular Formula:C16H18CLNO (isomer)
Names and Identifiers
Synonyms

AKOS024603475 MCULE-3510624416 MOLPORT-003-060-288 n-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-4-((3,4-dihydroisoquinolin-2(1h)-yl)sulfonyl)benzamide

Inchi
InChI=1S/C6H10O8.Fe/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);
InChkey
REOBWLHZEMOEIV-UHFFFAOYSA-N
Canonical Smiles
C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O.[Fe]
Properties
Melting Point
CONGEALING POINT: MORE THAN 51 DEG C (AFTER BEING DRIED OVER SULFURIC ACID)
Heat of Formation= 1.5660X10+8 J/kmol; Heat of Fusion at the Melting Point= 9.0000X10+6 J/kmol
Enthalpy of vaporization= 597.5 kJ/kg from 10.3 to 27.4 deg C
hydroxyl radical rate constant = 1.54X10-10 cu-cm/molc sec @ 25 deg C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 8047-67-4 EC: F1166-0022 ·ECHA C&L Inventory for CAS: CAS: 8047-67-4 EC: F1166-0022
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

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:265.983g/mol
  • Molecular Formula:C16H18CLNO
  • Compound Is Canonicalized:True
  • Exact Mass:265.973
  • Monoisotopic Mass:265.973
  • Complexity:202
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:156A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBgPAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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