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Home> Hot Product Listed T   > T6450547
6153-56-6 structure

T6450547

Iupac Name:oxalic acid;dihydrate
CAS No.:6153-56-6
Molecular Weight:126.064
Molecular Formula:C19H17F3N4O2 (isomer)
Names and Identifiers
Synonyms

MCULE-1052328464 MOLPORT-009-319-447 n3-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-n1-(propan-2-yl)piperidine-1,3-dicarboxamide Z424479476

Inchi
InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2
InChkey
GEVPUGOOGXGPIO-UHFFFAOYSA-N
Canonical Smiles
C(=O)(C(=O)O)O.O.O
Properties
Melting Point
98-102℃ (dec)
HS Code
29171100
Safety and Handling
Risk Statements
R21/22
Safety Statements
S24/25
HazardClass
8
PackingGroup
III
Transport
UN 1759
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 6153-56-6 EC: T6450547 ·ECHA C&L Inventory for CAS: CAS: 6153-56-6 EC: T6450547
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

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/\u2026if you feel unwell.

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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:126.064g/mol
  • Molecular Formula:C19H17F3N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:126.016
  • Monoisotopic Mass:126.016
  • Complexity:71.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:76.6A^2
  • Heavy Atom Count:8
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcYBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAI AACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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