Basic information
- CAS
50907-19-2- Standard SMILES
Fc1ccccc1-c1nn[nH]n1- InChIKey
ZRFGTMYIGSTCSZ-UHFFFAOYSA-N- Molecular formula
- C7H5FN4
- Average molar mass
- 164.14 g/mol
- Monoisotopic mass
- 164.04982434
Names & identifiers
- Preferred name
- 5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
- IUPAC
- 5-(2-fluorophenyl)-2H-tetrazole
- English name
- 5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE
- Molecular formula
- C7H5FN4
- Molecular weight
- 164.14
Names & synonyms
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazoleRefChem:529488836-134-950907-19-25-(2-Fluorophenyl)-1H-tetrazole5-(2-Fluorophenyl)tetrazole5-(2-fluorophenyl)-2H-tetrazole5-(2-fluorophenyl)-1H-1,2,3,4-tetraazoleMFCD007983731H-Tetrazole, 5-(2-fluorophenyl)-5-(2-FLUOROPHENYL)-2H-1,2,3,4-TETRAZOLE5-(2-Fluorophenyl)-2H-tetrazole; 5-(2-Fluorophenyl)-1H-tetrazole (9CI)
Show more names
2H-Tetrazole, 5-(2-fluorophenyl)-
5-(2-Fluoro-phenyl)-1H-tetrazole2-fluorophenyl tetrazoleMaybridge1_000232SCHEMBL1773738SCHEMBL5251206SCHEMBL8294492SCHEMBL31023996HMS542C12
Database identifiers
- CAS
50907-19-2- PubChem CID
- 596275
- DTXSID
DTXSID30344368- EC Number
- 836-134-9
- Nikkaji
- J1.778.403J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 157 · 157-159°C
- Boiling point
- 331.8 · 331.8±44.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.7 · 3.70±0.10(Predicted)
- color
- White to Pale Beige
- BRN
- 1105868 · 1105868
- CAS DataBase Reference
- 50907 · 50907-19-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933998090 · 2933998090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses5-(2-Fluorophenyl)-1H-tetrazole is used in the synthetic preparation of novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors useful in treatment and prevention of CNS diseases and diseases-modulated by mGluR5 receptors.
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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