3-Iodo-4-(trifluoromethyl)aniline
Basic information
- CAS
1261622-18-7- Standard SMILES
Nc1ccc(C(F)(F)F)c(I)c1- InChIKey
PYSOXGITBVGUIG-UHFFFAOYSA-N- Molecular formula
- C7H5F3IN
- Average molar mass
- 287.02 g/mol
- Monoisotopic mass
- 286.94188
Names & identifiers
- Preferred name
- 3-Iodo-4-(trifluoromethyl)aniline
- IUPAC
- 3-iodo-4-(trifluoromethyl)aniline
- English name
- 3-Iodo-4-(trifluoromethyl)aniline
- Molecular formula
- C7H5F3IN
- Molecular weight
- 287.02
Names & synonyms
3-iodo-4-(trifluoromethyl)aniline1261622-18-7RefChem:502680834-664-5MFCD18398111SCHEMBL3403582PYSOXGITBVGUIG-UHFFFAOYSA-NLAC62218AKOS034038090AS-84002SY223629Benzenamine, 3-iodo-4-(trifluoromethyl)-
Show more names
CS-0133301EN300-383778F621130Z1269160361
Database identifiers
- CAS
1261622-18-7- PubChem CID
- 68629367
- EC Number
- 834-664-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 280.5 · 280.5±40.0 °C(Predicted)
- Density
- 1.948 · 1.948±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.8 · 1.80±0.10(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- 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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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