Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed O   > Orthopropionic acid, pentafluoro-, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (1:1)
67989-88-2 structure

Orthopropionic acid, pentafluoro-, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (1:1)

Iupac Name:copper;azane;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CAS No.:67989-88-2
Molecular Weight:387.836
Molecular Formula:C17H17NO5 (isomer)
Names and Identifiers
Synonyms

1-ethyl-4-(pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane 4-ethyl-1-(1,1,2,2,2-pentafluoroethyl)-3,5,8-trioxabicyclo[2.2.2]octane AC1L4JQG AC1Q4ICC AR-1C2984 brn 1373494 DTXSID30185112 HE158284 LS-98486 pentafluoroorthopropionic acid cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Inchi
InChI=1S/C10H16N2O8.Cu.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3/q;+2;;/p-2
InChkey
QWQCKWBAUUOYMU-UHFFFAOYSA-L
Canonical Smiles
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].N.N.[Cu+2]
Properties
Density
1.098g/cm3
Flash Point
231.6°C
Safety and Handling
Safety Statements
S24/25
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 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Akzo Nobel Functional Chemicals BV 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin 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.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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:387.836g/mol
  • Molecular Formula:C17H17NO5
  • Compound Is Canonicalized:True
  • Exact Mass:387.058
  • Monoisotopic Mass:387.058
  • Complexity:336
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:163A^2
  • Heavy Atom Count:23
  • 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:4
  • CACTVS Substructure Key Fingerprint: AAADceBzvAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACAMAAgAI AACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:86-21-64833946
  • Fax:86-21-64833946
  • Tel:571 85376369
  • Fax:571 88233092
Recommended Suppliers
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:86-21-64833946
  • Fax:86-21-64833946
  • Tel:571 85376369
  • Fax:571 88233092
 
<