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5-Phenyl-1H-tetrazol
5-PHENYL-1H-TETRAZOLE · phenyltetrazole · 5-PT · 5-PHENYL-2H-TETRAZOLE · 1-Phenyl-1H-tetrazole · ma1623 · MA 1623 · expandex5pt
Identifikatoren & physikalische Daten
| CAS No. | 18039-42-4 |
|---|---|
| Summenformel | C7H6N4 |
| Durchschnittliche Molmasse | 146,15 g/mol |
| Monoisotopische Masse | 146,05924619 g/mol |
| SMILES | c1ccc(-c2nn[nH]n2)cc1 |
| InChIKey | MARUHZGHZWCEQU-UHFFFAOYSA-N |
| PubChem CID | 87425 |
| ChEMBL | CHEMBL39261 |
| EC No. | 241-950-8 |
| DTXSID | DTXSID6044858 |
| Lokaler Name | 5-Phenyl-1H-tetrazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 122 |
| LogP (Verteilungskoeffizient) | 1.5 |
| Löslichkeit | 3.2 [ug/mL] (The mean of the results at pH 7.4)DMSO, Methanol (Slightly) |
| Collision Cross Section | 127.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6044858] |
| Schmelzpunkt | 216 °C (dec.)(lit.) |
| Siedepunkt | 255.75°C (rough estimate) |
| Dichte | 1.2955 (rough estimate) |
| Brechungsindex | 1.6530 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.28±0.10(Predicted) |
| Farbe | White to almost white |
| InChI | InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11) |
| InChIKey | MARUHZGHZWCEQU-UHFFFAOYSA-N |
| SMILES | N1=C(C2=CC=CC=C2)N=NN1 |
| CAS Datenbank | 18039-42-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Tetrazole, 5-phenyl-(18039-42-4) |
| EPA chemische Informationen | 1H-Tetrazole, 5-phenyl- (18039-42-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 160 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Tetrazole, 5-phenyl-Status: Active Update: 23-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/224641H-Tetrazole, 5-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG III |
| Zollcode | 29339900 |
| RTECS-Nr. | XF7538750 |
| R-Sätze (R) | 22-44-11-36/37/38 |
| Toxizität | mouse,LD50,oral,890mg/kg (890mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0570992, |
| Gefahrensymbole | Xn,Xi,F |
| Sicherheitshinweise (S) | 36-37/39-26-16 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Phenyl-1H-tetrazole can be used as an etching solution composing metal wire layer to improve the production efficiency of panel manufacturing and cost reduction.