1-Iodo-3-(trifluoromethoxy)benzene
Basic information
- CAS
198206-33-6- Standard SMILES
FC(F)(F)Oc1cccc(I)c1- InChIKey
UQZXQSQWKJZHCD-UHFFFAOYSA-N- Molecular formula
- C7H4F3IO
- Average molar mass
- 288.01 g/mol
- Monoisotopic mass
- 287.9259
Names & identifiers
- Preferred name
- 1-Iodo-3-(trifluoromethoxy)benzene
- IUPAC
- 1-iodo-3-(trifluoromethoxy)benzene
- English name
- 3-(Trifluoromethoxy)iodobenzene
- Molecular formula
- C7H4F3IO
- Molecular weight
- 288.01
Names & synonyms
1-Iodo-3-(trifluoromethoxy)benzene198206-33-6DTXSID60380456RefChem:231053DTXCID00331482672-153-73-(Trifluoromethoxy)iodobenzeneBenzene, 1-iodo-3-(trifluoromethoxy)-MFCD010909923-iodo-1-(trifluoromethoxy)benzenem-iodotrifluoromethoxybenzene1-iodo-3-trifluoromethoxy-benzene
Show more names
3-Iodo Trifluoromethoxy BenzeneInteriodotrifluoromethoxybenzeneOrtho fluorotrifluoromethoxybenzene1-Iodo-3-(trifluoromethoxy)benzene>1-Iodo-3-(trifluoromethoxy)benzene 98%Inter-Iodine Trifluoride Mathoxyphenyl
3-trifluoromethoxyiodobenzeneSCHEMBL78949SCHEMBL4607541SCHEMBL16959864SCHEMBL27751989SCHEMBL299427013-(Trifluoromethoxy)iodobenzene, 96%3-iodophenyl trifluoromethyl ether, 3-iodo-alpha,alpha,alpha-trifluoroanisole
Database identifiers
- CAS
198206-33-6- PubChem CID
- 2777293
- DTXSID
DTXSID60380456- EC Number
- 672-153-7
- Nikkaji
- J1.490.427A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 185 · 185-186 °C (lit.)
- Density
- 1.863 g/mL · 1.863 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5200(lit.)
- Flash point
- 135 °F · 135 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light red to Green
- Sensitive
- Light Sensitive
- InChI
- 1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
- InChIKey
- UQZXQSQWKJZHCD-UHFFFAOYSA-N
- SMILES
- FC(F)(F)Oc1cccc(I)c1
- CAS DataBase Reference
- 198206 · 198206-33-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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