Basic information
- CAS
330841-34-4- Standard SMILES
Nc1cc(-c2nn[nH]n2)ccc1F- InChIKey
SPFBMNKRQFPDGH-UHFFFAOYSA-N- Molecular formula
- C7H6FN5
- Average molar mass
- 179.15 g/mol
- Monoisotopic mass
- 179.06072337
Names & identifiers
- Preferred name
- 2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline
- IUPAC
- 2-fluoro-5-(2H-tetrazol-5-yl)aniline
- English name
- Benzenamine, 2-fluoro-5-(2H-tetrazol-5-yl)-
- Molecular formula
- C7H6FN5
- Molecular weight
- 179.15
Names & synonyms
2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline330841-34-4RefChem:472426992-158-02-fluoro-5-(2H-tetrazol-5-yl)anilineSMR000020955MLS0000858262-fluoro-5-(1H-tetrazol-5-yl)phenylamine2-fluoro-5-(2H-1,2,3,4-tetrazol-5-yl)anilineChemDiv2_002438Oprea1_367489cid_592152
Show more names
Benzenamine, 2-fluoro-5-(2H-tetrazol-5-yl)-
CHEMBL1565585SCHEMBL10145320SCHEMBL21999817BDBM49130SPFBMNKRQFPDGH-UHFFFAOYSA-NHMS1375O18HMS2275A08FNA84134
Database identifiers
- CAS
330841-34-4- PubChem CID
- 592152
- ChEMBL
CHEMBL1565585- EC Number
- 992-158-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 408.8 · 408.8±55.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.10(Predicted)
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, P317, 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%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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