4-Chloro-6-phenylpyrimidine

HCID 593429CAS 3435-26-5

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Grundinformationen

Standard-SMILES: Clc1cc(-c2ccccc2)ncn1
InChIKey: RHTJKTOWBBKGNJ-UHFFFAOYSA-N
Summenformel: C10H7ClN2
Durchschnittliche Molmasse: 190,63 g/mol
Monoisotopische Masse: 190,0297759

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-6-phenylpyrimidine
IUPAC: 4-chloro-6-phenylpyrimidine
Englischer Name: 4-Chloro-6-phenylpyrimidine
Summenformel: C10H7ClN2
Molmasse: 190.63

Namen und Synonyme

4-Chloro-6-phenylpyrimidine3435-26-5Pyrimidine, 4-chloro-6-phenyl-DTXSID10343950RefChem:98498DTXCID10295026808-692-3RHTJKTOWBBKGNJ-UHFFFAOYSA-NMFCD002346044-chloro-6-phenyl-pyrimidineSCHEMBL632053SCHEMBL28474967

Weitere Namen anzeigen

OTAVA-BB BB70203611584-chloro-6-phenylpyriMidine(Ⅲ)4-chloro-6-phenylpyrimidine - [C86529]4-chloro-6-phenylpyrimidine4-chloro-6-phenylpyrimidine

SCHEMBL29392239DAA43526SBB054540AKOS002672882SB57508SDCCGSBI-0660094.P001SY152244DB-332244

Datenbank-Bezeichner

CAS: 3435-26-5
PubChem CID: 593429
DTXSID: DTXSID10343950
EC Number: 808-692-3
Nikkaji: J144.460C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 158 °C · 158 °C
Siedepunkt: 329.8 · 329.8±22.0 °C(Predicted)
Dichte: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: -0.5 · -0.50±0.17(Predicted)
Aggregatzustand: Solid
Farbe: Yellow to Dark Yellow
InChI: 1S/C10H7ClN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: RHTJKTOWBBKGNJ-UHFFFAOYSA-N
SMILES: ClC1=NC=NC(C2=CC=CC=C2)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1