Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
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Basic information
- CAS
30377-62-9- Standard SMILES
CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
XGYBRXYMSSZKPY-UHFFFAOYSA-N- Molecular formula
- C9H9F3N2O2
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.06161202
Names & identifiers
- Preferred name
- Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
- IUPAC
- N-ethyl-2-nitro-4-(trifluoromethyl)aniline
- English name
- N-ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
- Molecular formula
- C9H9F3N2O2
- Molecular weight
- 234.18
Names & synonyms
30377-62-9N-Ethyl-2-nitro-4-(trifluoromethyl)anilineBenzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-EINECS 250-160-2DTXSID6067549N-Ethyl-2-nitro-4-(trifluoromethyl)benzenamineRefChem:561987DTXCID4038184250-160-2N-Ethyl-2-nitro-4-trifluoromethylanilineMFCD00044178N-Ethyl 2-nitro-4-trifluoromethylaniline
Show more names
BUTTPARK 45\01-57N-ETHYL-4-TRIFLUOROMETHYL-2-NITROANILINEN-ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
MN87AU4DNWEthyl-(2-nitro-4-trifluoromethyl-phenyl)-amineSCHEMBL7261922SCHEMBL29653763SBB0982203-nitro-4-ethylamino-benzotrifluorideAKOS001030370SB76793
Database identifiers
- CAS
30377-62-9- PubChem CID
- 121682
- DTXSID
DTXSID6067549- UNII
- MN87AU4DNW
- EC Number
- 250-160-2
- Nikkaji
- J249.972J
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 59.5 °C · 59.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 278.6 · 278.6±40.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- pka
- -3.08 · -3.08±0.50(Predicted)
- FDA UNII
- 87 AU4DNW · MN87AU4DNW
- EPA Substance Registry System
- -2 · Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- (30377-62-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2921420090 · 2921420090
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-: ACTIVE
Applications
UsesN-Ethyl-2-nitro-4-trifluoromethylaniline
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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