2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
Basic information
- CAS
133184-80-2- Standard SMILES
Nc1cc(C(F)(F)F)ccc1N1CCCC1- InChIKey
HPDFKXPVMXSXGE-UHFFFAOYSA-N- Molecular formula
- C11H13F3N2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.10308291
Names & identifiers
- Preferred name
- 2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
- IUPAC
- 2-pyrrolidin-1-yl-5-(trifluoromethyl)aniline
- English name
- N-(2-Amino-4-trifluoromethylphenyl)pyrrolidine
- Molecular formula
- C11H13F3N2
- Molecular weight
- 230.23
Names & synonyms
133184-80-22-(pyrrolidin-1-yl)-5-(trifluoromethyl)anilineDTXSID70333817RefChem:462184DTXCID80284907670-895-62-pyrrolidin-1-yl-5-(trifluoromethyl)anilineN-(2-Amino-4-trifluoromethylphenyl)pyrrolidine2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilineN-[2-Amino-4-(trifluoromethyl)phenyl]pyrrolidineMFCD000421623-amino-4-(1-pyrrolidino)benzotrifluoride
Show more names
AKOS B025580AKOS BB-8559ASISCHEM Z50533BUTTPARK 44\09-70ART-CHEM-BB B025580TIMTEC-BB SBB0098243-AMINO-4-PYRROLIDINOBENZOTRIFLUORIDE3-AMINO-4-(1-PYRROLIDINO)BENZOTRIFLUORIDE 96%
n-[2-amino-4-trifluoromethylphenyl]pyrrolidineBenzenamine, 2-(1-pyrrolidinyl)-5-(trifluoromethyl)-EN300-178582-pyrrolidinyl-5-(trifluoromethyl)phenylamine1820650-27-82-Pyrrolidin-1-yl-5-trifluoromethyl-phenylamineMaybridge1_001246SCHEMBL330331
Database identifiers
- CAS
133184-80-2- PubChem CID
- 518751
- DTXSID
DTXSID70333817- EC Number
- 670-895-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 33 °C · 33 °C
- Boiling point
- 315.4 · 315.4±42.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.51 · 5.51±0.40(Predicted)
- CAS DataBase Reference
- 133184 · 133184-80-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36
- 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 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Suppliers
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Related reactions
11 records
Compound notes
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