2,4,5-Trichloropyrimidine (HCID 237259)

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 Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 25,8 Å²
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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

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.