6-(Chlormethyl)uracil

6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione

HCID 73273CAS 18592-13-7

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Grundinformationen

Standard-SMILES: O=c1cc(CCl)[nH]c(=O)[nH]1
InChIKey: VCFXBAPEXBTNEA-UHFFFAOYSA-N
Summenformel: C5H5ClN2O2
Durchschnittliche Molmasse: 160,56 g/mol
Monoisotopische Masse: 160,00395508

Namen und Bezeichner

Bevorzugter Name: 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC: 6-(chloromethyl)-1H-pyrimidine-2,4-dione
Lokaler Name: 6-(Chlormethyl)uracil
Englischer Name: 6-(Chloromethyl)uracil
Summenformel: C5H5ClN2O2
Molmasse: 160.56

Namen und Synonyme

18592-13-72,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-4-(Chloromethyl)uracil4-chloromethyluracilDTXSID4066387RefChem:5396136-(Chloromethyl)-2,4(1H,3H)-pyrimidinedioneDTXCID9035880242-431-96-(Chloromethyl)uracil6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione6-Chloromethyluracil

Weitere Namen anzeigen

Tipiracil-0026-(CHLOROMETHYLTIMTEC-BB SBB003961Tipiracil Impurity 145-CHLORO-6-METHYLURACIL6-methyl-5-chlorouracil6-Chloromethyluracil >6-(Chloromethyl)uracil,98%

6-(chloromethyl)-1H-pyrimidine-2,4-dioneMFCD000100956-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione6-(chloromethyl)-1,3-dihydropyrimidine-2,4-dione6-chloromethylpyrimidine-2,4-dioneEINECS 242-431-9Tipiracil Impurity 86-chloromethyl-uracil

Datenbank-Bezeichner

CAS: 18592-13-7
PubChem CID: 73273
DTXSID: DTXSID4066387
EC Number: 242-431-9
Nikkaji: J208.250K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 212

Physikochemische Eigenschaften

Schmelzpunkt: 257 °C · 257 °C (dec.)(lit.)
Dichte: 1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: almost transparency in N,N-DMF
Aggregatzustand: powder to crystal
pka: 7.91 · 7.91±0.10(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChIKey: VCFXBAPEXBTNEA-UHFFFAOYSA-N
SMILES: C1(=O)NC(CCl)=CC(=O)N1
CAS Datenbank: 18592 · 18592-13-7(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)- (18592-13-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-: INACTIVE

Anwendungen

Verwenden6-(Chloromethyl)uracil is an alkali-resistant protein adsorbent, suitable for medical procedures. it is also used in the synthesis of chlorophenyl hydroxypiperidine analogs having anti-amylatic activity.