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Home> Hot Product Listed C   > CF3O2
784-71-4 structure

CF3O2

Iupac Name:1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CAS No.:784-71-4
Molecular Weight:246.194
Molecular Formula:C11H17N (isomer)
Names and Identifiers
Synonyms

(trifluoromethyl)dioxidanyl AC1L3WFX AC1Q2929 AR-1A7920 KST-1A2035

Inchi
InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChkey
UIYWFOZZIZEEKJ-XVFCMESISA-N
Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F
Isomers Smiles
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
Properties
Boiling Point
279.3°C at 760 mmHg
Refractive Index
53 ° (C=0.3, H2O)
Safety and Handling
Risk Statements
R22
Safety Statements
20/21/22-40
HazardClass
4.1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 784-71-4 EC: CF3O2 ·ECHA C&L Inventory for CAS: CAS: 784-71-4 EC: CF3O2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H228 Flammable solid

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

Response

P370+P378 In case of fire: Use ... to extinguish.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:246.194g/mol
  • Molecular Formula:C11H17N
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1
  • Exact Mass:246.065
  • Monoisotopic Mass:246.065
  • Complexity:374
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:99.1A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:4
  • 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: AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYBAAPABgCI ACFWUACAAAAAAgAIAAAIAECBEAIAgAAOQAAPFyIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-21-64757213
  • Fax:+86-21-64700613
  • Tel:+49-(3528)-4041 60
  • Fax:+49-(3528)-4041 65
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  • Tel:+86-(711)-381-1569
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