3-Fluoro-4-(pyrrolidin-1-yl)aniline
Basic information
- CAS
93246-54-9- Standard SMILES
Nc1ccc(N2CCCC2)c(F)c1- InChIKey
NOTAKFXSHAJNDN-UHFFFAOYSA-N- Molecular formula
- C10H13FN2
- Average molar mass
- 180.22 g/mol
- Monoisotopic mass
- 180.10627664
Names & identifiers
- Preferred name
- 3-Fluoro-4-(pyrrolidin-1-yl)aniline
- IUPAC
- 3-fluoro-4-pyrrolidin-1-ylaniline
- English name
- AKOS B033532
- Molecular formula
- C10H13FN2
- Molecular weight
- 180.22
Names & synonyms
3-fluoro-4-(pyrrolidin-1-yl)aniline93246-54-9DTXSID30424679RefChem:279398DTXCID50375513845-282-33-Fluoro-4-(1-pyrrolidinyl)aniline3-fluoro-4-pyrrolidin-1-ylanilineMFCD07403468AKOS B033532(3-Fluoro-4-pyrrolidin-1-ylphenyl)amine3-fluoro-4-pyrrolidinylphenylamine
Show more names
TIMTEC-BB SBB010658Benzenamine, 3-fluoro-4-(1-pyrrolidinyl)-
3-fluoro-4-pyrrolidin-1-ylaniline dihydrochloride3-Fluoro-4-pyrrolidin-1-yl-phenylamineSCHEMBL3442442NOTAKFXSHAJNDN-UHFFFAOYSA-NALBB-0128043-fluoro-4-pyrrolidin-1-yl-anilineSBB010658STK878619
Database identifiers
- CAS
93246-54-9- PubChem CID
- 6500524
- DTXSID
DTXSID30424679- EC Number
- 845-282-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 328.1 · 328.1±32.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.68 · 5.68±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HazardClass
- IRRITANT
- 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, 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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Suppliers
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Related reactions
2 records
Compound notes
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