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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-[(2R)-tetrahydro-2-furanyl]-
89797-68-2 structure

2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-[(2R)-tetrahydro-2-furanyl]-

Iupac Name:5-ethylsulfanyl-2H-tetrazole
CAS No.:89797-68-2
Molecular Weight:130.17200
Molecular Formula:C9H16O2 (isomer)
Names and Identifiers
Synonyms

(R)-Ftorafur (r)-tegafur 076f689 1-((2r)oxolan-2-yl)-5-fluoro-1,3-dihydropyrimidine-2,4-dione 2,3h)-pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (r)- 2,4(1H,3H)-pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)- 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-2-furanyl)-, (R)- 2124AH 5317337v7v 5-fluoro-1-(r)-tetrahydro-furan-2-yl-1h-pyrimidine-2,4-dione 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione 5-fluoro-1-[(2r)-2-oxolanyl]pyrimidine-2,4-dione 5-fluoro-1-[(2r)-oxolan-2-yl]pyrimidine-2,4-dione 5-fluoro-1-[(r)-tetrahydrofuran-2-yl]uracil A812417 A823522 AB01566812_01 AC1L692Y acm37076689 AKOS024306980 Carzonal CCG-35341 CCG-36092 CHEMBL235993 F0635 FT-0653732 ftorafur, 17902-23-7 HE319380 MOLPORT-002-507-106 N1-(2'-Furanidyl)-5-fluorouracil NCIMECH_000223 NSC 200695 nsc148958 nsc-200695 S1300 SCHEMBL4553 ST50308301 Tegafur UNII-1548R74NSZ COMPONENT WFWLQNSHRPWKFK-ZCFIWIBFSA-N unii-5317337v7v

Inchi
InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
InChkey
GONFBOIJNUKKST-UHFFFAOYSA-N
Canonical Smiles
CCSC1=NNN=N1
Properties
Density
0.901
Melting Point
72-80°C(lit.)
Boiling Point
567.8°C at 760 mmHg
Vapour
0.00184mmHg at 25°C
Refractive Index
1.574
Flash Point
262.3°C
HS Code
29299000
Storage temp
2-8°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S35-S36/37-S16
Transport
UN 1648 3/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

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.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:130.17200g/mol
  • Molecular Formula:C9H16O2
  • Compound Is Canonicalized:True
  • Exact Mass:130.031
  • Monoisotopic Mass:130.031
  • Complexity:68.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:79.8A^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:1
  • CACTVS Substructure Key Fingerprint: AAADcYBDgABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAQYAAAAAACEQACDEAQCAAgi AAAAIAAAAAJAABAEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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