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Basic information
- CAS
21743-75-9- Standard SMILES
O=C(O)Cc1nn[nH]n1- InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N- Molecular formula
- C3H4N4O2
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.03342538
Names & identifiers
- Preferred name
- 2-(1H-tetrazol-5-yl)acetic acid
- IUPAC
- 2-(2H-tetrazol-5-yl)acetic acid
- English name
- 1H-Tetrazole-5-acetic acid
- Molecular formula
- C3H4N4O2
- Molecular weight
- 128.09
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
21743-75-9- PubChem CID
- 89031
- DTXSID
DTXSID60176139- ChEMBL
CHEMBL6161739- EC Number
- 244-563-2
- Nikkaji
- J225.431J
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 180 · 180-183 °C (lit.)
- Boiling point
- 451 · 451.0±47.0 °C(Predicted)
- Density
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 3.39 · 3.39±0.10(Predicted)
- color
- 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 DataBase Reference
- 21743 · 21743-75-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1325 · UN 1325 4.1/PG III
- WGK Germany
- 3 · 3
- HS Code
- 2933.99 · 2933.99.8290
- HazardClass
- IRRITANT
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1325 4.1/PG III
- hs_code
- 2933.99.8290
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1H-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.
General Description1H-Tetrazole-5-acetic acid H2tza) can be prepared from ethyl 2-(1H-tetrazol-5-yl)acetate.
Upstream & downstream products
Downstream products
Suppliers85 total
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]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南通增德瑞生物科技有限公司0513-87582998 13912206938 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
2 records
Compound notes
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