Grundinformationen
- CAS
21743-75-9- Standard-SMILES
O=C(O)Cc1nn[nH]n1- InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N- Summenformel
- C3H4N4O2
- Durchschnittliche Molmasse
- 128,09 g/mol
- Monoisotopische Masse
- 128,03342538
Namen und Bezeichner
- Bevorzugter Name
- 2-(1H-tetrazol-5-yl)acetic acid
- IUPAC
- 2-(2H-tetrazol-5-yl)acetic acid
- Lokaler Name
- 1H-Tetrazol-5-essigsure
- Englischer Name
- 1H-Tetrazole-5-acetic acid
- Summenformel
- C3H4N4O2
- Molmasse
- 128.09
Namen und Synonyme
2-(1H-tetrazol-5-yl)acetic acidRefChem:4392911H-Tetrazole-5-acetic acid21743-75-92-(2H-tetrazol-5-yl)acetic acid(1H-Tetrazol-5-yl)-acetic acid1H-tetrazol-5-ylacetic acidMFCD030940102-(1H-1,2,3,4-tetrazol-5-yl)acetic acid1H-Tetrazol-5-acetic acidNSC282047SCHEMBL241024
Weitere Namen anzeigen
Tetrazole-5-acetateIFLAB-BB F1984-0199CHEMBRDG-BB 4002014TIMTEC-BB SBB010083Cefazolin Impurity 582H-Tetrazole-5-aceticacid
tetrazole-5-acetic acidCHEMBL6161739(2H-tetrazol-5-yl)-acetic acidEINECS 244-563-2AKOS001216672CS-W013475NSC 282047NSC-282047
Datenbank-Bezeichner
- CAS
21743-75-9- PubChem CID
- 89031
- DTXSID
DTXSID60176139- ChEMBL
CHEMBL6161739- EC Number
- 244-563-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 91,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 116
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-183 °C (lit.)
- Siedepunkt
- 451 · 451.0±47.0 °C(Predicted)
- Dichte
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Wasserlöslichkeit
- Soluble in water
- Aggregatzustand
- powder to crystal
- pka
- 3.39 · 3.39±0.10(Predicted)
- Farbe
- White to Almost white
- InChI
- 1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
- InChIKey
- JUNAPQMUUHSYOV-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1nnn[nH]1
- CAS Datenbank
- 21743 · 21743-75-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 42 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1325 4.1/PG III
- hs_code
- 2933.99.8290
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden1H-Tetrazole-5-acetic acid(H2tza) may be used in the preparation of:5-(trinitromethyl)-2H-tetrazoleN-(furan-2yl methyl)-2-(1H-tetrazol-5-yl)acetamidetetrazolium based ionic liquidIt may also be used as a bifunctional ligand for the synthesis of novel copper(II) and nickel(II) complexes.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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