Grundinformationen
- Standard-SMILES
Clc1ncccn1- InChIKey
UNCQVRBWJWWJBF-UHFFFAOYSA-N- Summenformel
- C4H3ClN2
- Durchschnittliche Molmasse
- 114,53 g/mol
- Monoisotopische Masse
- 113,9984758
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloropyrimidine
- IUPAC
- 2-chloropyrimidine
- Lokaler Name
- 2-Chlorpyrimidin
- Englischer Name
- 2-Chloropyrimidine
- Summenformel
- C4H3ClN2
- Molmasse
- 114.53
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1722-12-9- PubChem CID
- 74404
- DTXSID
DTXSID70169214- ChEMBL
CHEMBL5433017- UNII
- 94EZW2WL9E
- EC Number
- 217-020-2
- Nikkaji
- J147.988A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 51
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-66 °C (lit.)
- Siedepunkt
- 75 · 75-76 °C/10 mmHg (lit.)
- Dichte
- 1.271 · 1.2710 (rough estimate)
- Brechungsindex
- 1.532 · 1.5320 (estimate)
- Flammpunkt
- 98 °C · 98 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Methanol, Water
- pka
- -1.46 · -1.46±0.13(Predicted)
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- Yellow to pale orange
- Wasserlöslichkeit
- 33.3 mg · Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.
- BRN
- 107171 · 107171
- InChI
- 1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
- InChIKey
- UNCQVRBWJWWJBF-UHFFFAOYSA-N
- SMILES
- Clc1ncccn1
- CAS Datenbank
- 1722 · 1722-12-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Pyrimidine, 2-chloro-(1722-12-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (16.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Regulatorische Informationen
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29339900
- risk_code
- 22-36-36/38-36/37/38
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
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