2,4,5-Trichloropyrimidine
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Grundinformationen
- CAS
5750-76-5- Standard-SMILES
Clc1ncc(Cl)c(Cl)n1- InChIKey
GIKMWFAAEIACRF-UHFFFAOYSA-N- Summenformel
- C4HCl3N2
- Durchschnittliche Molmasse
- 183,42 g/mol
- Monoisotopische Masse
- 181,920531
Namen und Bezeichner
- Bevorzugter Name
- 2,4,5-Trichloropyrimidine
- IUPAC
- 2,4,5-trichloropyrimidine
- Englischer Name
- 2,4,5-Trichloropyrimidine
- Summenformel
- C4HCl3N2
- Molmasse
- 183.42
Namen und Synonyme
2,4,5-Trichloropyrimidine5750-76-5NSC 40593DTXSID50206116RefChem:442773DTXCID50128607628-281-02,5,6-Trichloropyrimidine2,4,5-Trichloro-pyrimidinetrichloropyrimidineNSC40593MFCD03788200
Weitere Namen anzeigen
2,4,5-TrichL2,4,5-Trichloropyrim2,4,5-Tricluoroaniline2,4,5-Trichloro-1,3-diazine2,4,5-three chloropyriMidine2,4,5-TrichloropyriMidine 99%2,4,5-Trichloropyrimidine ,98%
Pyrimidine, 2,4,5-trichloro-NSC-40593CML8RAP55R2,4,5 trichloropyrimidineSCHEMBL1553145-chloro-2,4-dichloro-pyrimidineT2512EN300-99395
Datenbank-Bezeichner
- CAS
5750-76-5- PubChem CID
- 237259
- DTXSID
DTXSID50206116- ChEMBL
CHEMBL1979246- UNII
- CML8RAP55R
- EC Number
- 628-281-0
- Nikkaji
- J526.226G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Siedepunkt
- 84 °C · 84°C 1mm
- Dichte
- 1.6001 g/mL · 1.6001 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.574(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- clear liquid
- pka
- -4.26 · -4.26±0.29(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- Wasserlöslichkeit
- Not miscible or difficult to mix in water.
- BRN
- 4449 · 4449
- InChI
- InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
- InChIKey
- GIKMWFAAEIACRF-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(Cl)C(Cl)=N1
- CAS Datenbank
- 5750 · 5750-76-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (2 of 58) of reports.
Danger
H314 (10.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (84.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 58 reports by companies.；There are 11 notifications provided by 56 of 58 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (10.3%)；Skin Irrit. 2 (86.2%)；Eye Irrit. 2 (86.2%)；STOT SE 3 (84.5%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3267
- hs_code
- 29335990
- risk_code
- 36/37/38
Chemie und Industrie
Anwendungen
Verwenden2,4,5-Trichloropyrimidine is used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of EGFR inhibitors.
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