5-Chlor-1-phenyl-1H-tetrazol

1H-Tetrazole, 5-chloro-1-phenyl-

HCID 84262CAS 14210-25-4

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Grundinformationen

Standard-SMILES: Clc1nnnn1-c1ccccc1
InChIKey: DHELIGKVOGTMGF-UHFFFAOYSA-N
Summenformel: C7H5ClN4
Durchschnittliche Molmasse: 180,59 g/mol
Monoisotopische Masse: 180,0202739

Namen und Bezeichner

Bevorzugter Name: 1H-Tetrazole, 5-chloro-1-phenyl-
IUPAC: 5-chloro-1-phenyltetrazole
Lokaler Name: 5-Chlor-1-phenyl-1H-tetrazol
Englischer Name: 5-Chloro-1-phenyl-1H-tetrazole
Summenformel: C7H5ClN4
Molmasse: 180.59

Namen und Synonyme

5-Chloro-1-phenyl-1H-tetrazole5-Chloro-1-phenyltetrazole1H-Tetrazole, 5-chloro-1-phenyl-5-Chloro-1-phenyl-1H-tetrazolEINECS 238-065-4AI3-61645DTXSID9065730RefChem:79970DTXCID2034625238-065-4DHELIGKVOGTMGF-UHFFFAOYSA-N14210-25-4

Weitere Namen anzeigen

RARECHEM AQ NN 0459Allisartan Isoproxil Impurity 475-Chloro-1-phenyl-1H-tetrazole >5-Chloro-1-phenyl-1H-tetrazole,97%5-Chloro-1-phenyl-1H-tetrazole, 98+%

5-Chloro-1-Phenyl-1H-1,2,3,4-TetrazoleMFCD000031285-chloro-1-phenyl-tetrazole5-Chloro-1-phenyl-1H-1,2,3,4-tetraazole1-phenyl-5-chlorotetrazole5-chloro-1-phenyl-1,2,3,4-tetraazole1-Phenyl-5-chlortetrazolN-phenyl-5-chlorotetrazole

Datenbank-Bezeichner

CAS: 14210-25-4
PubChem CID: 84262
DTXSID: DTXSID9065730
EC Number: 238-065-4
Nikkaji: J269K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 43,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 148

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-123 °C (lit.)
Siedepunkt: 297.55 °C · 297.55°C (rough estimate)
Dichte: 1.3947 · 1.3947 (rough estimate)
Brechungsindex: 1.611 · 1.6110 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 25 mg/mL, · dichloromethane: soluble25mg/mL, clear, colorless
pka: -0.27 · -0.27±0.10(Predicted)
Aggregatzustand: solid
BRN: 139070 · 139070
InChI: 1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKey: DHELIGKVOGTMGF-UHFFFAOYSA-N
SMILES: Clc1nnnn1-c2ccccc2
CAS Datenbank: 14210 · 14210-25-4(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Tetrazole, · 1H-Tetrazole, 5-chloro-1-phenyl- (14210-25-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 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

Regulatory Information · 2 Einträge

Chemical: 1H-Tetrazole, 5-chloro-1-phenyl-

1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1H-Tetrazole, 5-chloro-1-phenyl-

1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29339990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 4.1
packing_group: III
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Tetrazole, 5-chloro-1-phenyl-: INACTIVE

Anwendungen

Verwenden5-Chloro-1-phenyl-1H-tetrazole is used as a reactant in the preparation of biaryls via phosphine-catalyzed Suzuki-Miyaura coupling of aryl halides with arylboronic acids.