Basic information
- CAS
75773-99-8- Standard SMILES
O=C(O)c1nn[nH]n1- InChIKey
IKNZBNHVVQIRTO-UHFFFAOYSA-N- Molecular formula
- C2H2N4O2
- Average molar mass
- 114.06 g/mol
- Monoisotopic mass
- 114.01777532
Names & identifiers
- Preferred name
- 2H-1,2,3,4-Tetrazole-5-carboxylic acid
- IUPAC
- 2H-tetrazole-5-carboxylic acid
- English name
- 1H-Tetrazole-5-carboxylic acid
- Molecular formula
- C2H2N4O2
- Molecular weight
- 114.06
Names & synonyms
2H-1,2,3,4-Tetrazole-5-carboxylic acidRefChem:484072894-174-21H-Tetrazole-5-carboxylic acid75773-99-82H-tetrazole-5-carboxylic AcidMFCD13179633Tetrazole-5-carboxylic acidSCHEMBL1238342DTXSID20331383MFCD17676507AKOS006377435
Show more names
2H-1,2,3,4-TETRAZOLE-5-CARBOXYLIC ACID（WS204243）
AKOS016344690LS-12934SY0401022H-1,2,3,4-Tetrazole-5-carboxylicacidEN300-90226F19598tetrazolic acidIKNZBNHV
Database identifiers
- CAS
75773-99-8- PubChem CID
- 438294
- DTXSID
DTXSID20331383- EC Number
- 894-174-2
- Nikkaji
- J2.636.007B
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 460.3 · 460.3±28.0 °C(Predicted)
- Density
- 1.902 · 1.902±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.32 · 2.32±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C2H2N4O2/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)
- InChIKey
- IKNZBNHVVQIRTO-UHFFFAOYSA-N
- SMILES
- N1=C(C(O)=O)N=NN1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1H-TETRAZOLE-5-CARBOXYLIC ACID can be used as a raw material or intermediate compound in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers39 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…