5-fluoro-1H-1,2,4-triazole
Basic information
- CAS
42297-29-0- Standard SMILES
Fc1ncn[nH]1- InChIKey
SOBHMFCHWRGFAU-UHFFFAOYSA-N- Molecular formula
- C2H2FN3
- Average molar mass
- 87.06 g/mol
- Monoisotopic mass
- 87.02327524
Names & identifiers
- Preferred name
- 5-fluoro-1H-1,2,4-triazole
- IUPAC
- 5-fluoro-1H-1,2,4-triazole
- English name
- 1H-1,2,4-Triazole,5-fluoro-(9CI)
- Molecular formula
- C2H2FN3
- Molecular weight
- 87.06
Names & synonyms
5-Fluoro-1H-1,2,4-triazole42297-29-0RefChem:535700973-437-6MFCD188070793-fluoro-1,2,4-triazole5-fluoro-1,2,4-triazoleC2H2FN3SCHEMBL2290487SCHEMBL6241418SCHEMBL6245191SCHEMBL11982444
Show more names
1H-1,2,4-Triazole, 5-fluoro-
SCHEMBL11982445SCHEMBL134705053-fluoro-4H-1,2,4-triazoleAKOS0273241131H-1,2,4-Triazole,5-fluoro-(9CI)YH205957DB-427895H53022
Database identifiers
- CAS
42297-29-0- PubChem CID
- 45117656
- EC Number
- 973-437-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 48.1
Physicochemical properties
- Boiling point
- 253.1 · 253.1±23.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…