4-Chlorofuro[3,2-c]pyridine

HCID 2779746CAS 31270-80-1

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Grundinformationen

Standard-SMILES: Clc1nccc2occc12
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
Summenformel: C7H4ClNO
Durchschnittliche Molmasse: 153,56 g/mol
Monoisotopische Masse: 152,9981414

Namen und Bezeichner

Bevorzugter Name: 4-Chlorofuro[3,2-c]pyridine
IUPAC: 4-chlorofuro[3,2-c]pyridine
Englischer Name: 4-Chlorofuro[3,2-c]pyridine
Summenformel: C7H4ClNO
Molmasse: 153.57

Namen und Synonyme

4-chlorofuro[3,2-c]pyridine31270-80-1DTXSID503815334-Chlorofuro(3,2-c)pyridineRefChem:292119DTXCID80332558800-345-4Furo[3,2-c]pyridine, 4-chloro-4-Chloro-furo[3,2-c]pyridineMFCD021797684-chlorouro[3,2-c]pyridineSCHEMBL127374

Weitere Namen anzeigen

104328Compound Fr13857SALOR-INT L299537-1EA4-CHLOROFURO[3,2-]PYRIDINE1. 4-Chlorofuro[3,2-C]Pyridine4-Chlorofuro[3,2-c]pyridine HCl4-CHLOROFURO[3,2-C]PYRIDINE 97%4-Chlorofuro[3,2-c]pyridine, 95+%

CHEBI:194642AKOS006229220CS-W002916PS-4421SB15349orb2567344orb2901869SCHEMBL6293173

Datenbank-Bezeichner

CAS: 31270-80-1
PubChem CID: 2779746
DTXSID: DTXSID50381533
ChEBI: CHEBI:194642
EC Number: 800-345-4
Nikkaji: J848.415E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 41 °C · 41 °C
Siedepunkt: 243 ℃ · 243℃
Dichte: 1.377 · 1.377
Flammpunkt: 101 ℃ · 101℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: -0.69 · -0.69±0.30(Predicted)
Farbe: Orange
InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC2OC=CC1=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (60%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 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 (20%)；Acute Tox. 4 (60%)；Acute Tox. 4 (60%)；Skin Irrit. 2 (80%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (60%)；STOT SE 3 (80%)