2-fluoro-4-(1H-1,2,3,4-tetrazol-5-yl)aniline
Basic information
- CAS
312537-83-0- Standard SMILES
Nc1ccc(-c2nn[nH]n2)cc1F- InChIKey
RAORRNPIMYMNAF-UHFFFAOYSA-N- Molecular formula
- C7H6FN5
- Average molar mass
- 179.15 g/mol
- Monoisotopic mass
- 179.06072337
Names & identifiers
- Preferred name
- 2-fluoro-4-(1H-1,2,3,4-tetrazol-5-yl)aniline
- IUPAC
- 2-fluoro-4-(2H-tetrazol-5-yl)aniline
Names & synonyms
2-fluoro-4-(1H-1,2,3,4-tetrazol-5-yl)aniline312537-83-0RefChem:472291866-540-1TimTec1_004516Benzenamine, 2-fluoro-4-(5-tetrazolyl)-Oprea1_195187RAORRNPIMYMNAF-UHFFFAOYSA-NHMS1546N06AKOS0202382242-Fluoro-4-(1H-tetraazol-5-yl)aniline #EU-0018703
Show more names
G57867EN300-3001833SR-01000525024SR-01000525024-1Z1469806440
Database identifiers
- CAS
312537-83-0- PubChem CID
- 592153
- EC Number
- 866-540-1
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
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%)
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Compound notes
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