Basic information
- CAS
1155599-04-4- Standard SMILES
CCn1c(N)nc2cc(F)ccc21- InChIKey
JIKIZTCIQZLPJR-UHFFFAOYSA-N- Molecular formula
- C9H10FN3
- Average molar mass
- 179.19 g/mol
- Monoisotopic mass
- 179.08587549
Names & identifiers
- Preferred name
- 1-ethyl-5-fluoro-1H-1,3-benzodiazol-2-amine
- IUPAC
- 1-ethyl-5-fluorobenzimidazol-2-amine
- English name
- 1H-Benzimidazol-2-amine, 1-ethyl-5-fluoro-
- Molecular formula
- C9H10FN3
- Molecular weight
- 179.19
Names & synonyms
1-ethyl-5-fluoro-1H-1,3-benzodiazol-2-amine1155599-04-4RefChem:432567987-273-8SCHEMBL979555JIKIZTCIQZLPJR-UHFFFAOYSA-NAKOS0098538811-ethyl-5-fluoro-1H-benzimidazol-2-ylamineEN300-1502031-Ethyl-5-fluoro-1H-benzimidazol-2-amine1H-Benzimidazol-2-amine, 1-ethyl-5-fluoro-
Database identifiers
- CAS
1155599-04-4- PubChem CID
- 43661572
- EC Number
- 987-273-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 344.4 · 344.4±34.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 6.43 · 6.43±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, 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
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
3 records
Compound notes
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