4-Chloro-1H-indazole

HCID 393037

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Grundinformationen

CAS: 13096-96-3
Standard-SMILES: Clc1cccc2[nH]ncc12
InChIKey: CQTGQYVQJOJQCM-UHFFFAOYSA-N
Summenformel: C7H5ClN2
Durchschnittliche Molmasse: 152,58 g/mol
Monoisotopische Masse: 152,0141259

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-1H-indazole
IUPAC: 4-chloro-1H-indazole
Englischer Name: 4-CHLORO (1H)INDAZOLE
Summenformel: C7H5ClN2
Molmasse: 152.58

Namen und Synonyme

4-Chloro-1H-indazole13096-96-3DTXSID40156818NSC 694315RefChem:98308DTXCID9079309663-035-64-CHLOROINDAZOLE1H-Indazole, 4-chloro-4-Chloro-2H-indazoleMFCD002110654-CHLORO (1H)INDAZOLE

Weitere Namen anzeigen

4-CHLORO-1H-INDAZOLE, 95+%4-chloro-3a,7a-dihydro-1H-indazol4-chloro-3a,7a-dihydro-1H-indazole4-chloro-1H-indazole(SALTDATA: FREE)

4-chloro-indazoleNSC694315UNII-6U6PT5XJ7G6U6PT5XJ7GCHEMBL2465334-Chloro-1H-indazole, 97%NSC-694315CB-0825

Datenbank-Bezeichner

CAS: 13096-96-3
PubChem CID: 393037
DTXSID: DTXSID40156818
ChEMBL: CHEMBL246533
UNII: 6U6PT5XJ7G
EC Number: 663-035-6
Nikkaji: J527.050B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 155 · 155-160 °C
Siedepunkt: 309.5 · 309.5±15.0 °C(Predicted)
Dichte: 1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.82 · 12.82±0.40(Predicted)
Aggregatzustand: Solid
InChI: InChI=1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: CQTGQYVQJOJQCM-UHFFFAOYSA-N
SMILES: N1C2=C(C(Cl)=CC=C2)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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 (97.6%)；Eye Irrit. 2A (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 25-36
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 45-26
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral