4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
Basic information
- CAS
51332-24-2- Standard SMILES
CN(C)c1ccc(Br)c(C(F)(F)F)c1- InChIKey
DBSFECXQLNDZAX-UHFFFAOYSA-N- Molecular formula
- C9H9BrF3N
- Average molar mass
- 268.07 g/mol
- Monoisotopic mass
- 266.98705
Names & identifiers
- Preferred name
- 4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
- IUPAC
- 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
- English name
- 4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
- Molecular formula
- C9H9BrF3N
- Molecular weight
- 268.07
Names & synonyms
4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline51332-24-2DTXSID90350824RefChem:520399DTXCID90301891684-525-6MFCD00219439SCHEMBL1536726DBSFECXQLNDZAX-UHFFFAOYSA-NAKOS015835301DS-0541CS-0186968
Show more names
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)5-dimethylamino-2-bromo-α,α,α-trifluorotoluene(4-Bromo-3-trifluoromethyl-phenyl)-dimethyl-amineBenzenamine, 4-bromo-N,N-dimethyl-3-(trifluoromethyl)-
4-Bromo-NN-dimethyl-3-(trifluoromethyl)aniline4-Bromo-N,N-dimethyl-3-(trifluoromethyl);anilineF214636[4-bromo-3-(trifluoromethyl)-phenyl]-dimethyl-amineInChI=1/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H
Database identifiers
- CAS
51332-24-2- PubChem CID
- 688191
- DTXSID
DTXSID90350824- EC Number
- 684-525-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Density
- 1.543 g/mL · 1.543 g/mL at 25 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312-H319-H315-H335
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
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 38 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
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Hazard statements
- H332-H302-H312-H319-H315-H335
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Suppliers
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Related reactions
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Compound notes
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