1,3-Difluoro-5-iodo-2-methoxybenzene
Basic information
- CAS
886762-68-1- Standard SMILES
COc1c(F)cc(I)cc1F- InChIKey
VPBVKAYYQNPEGB-UHFFFAOYSA-N- Molecular formula
- C7H5F2IO
- Average molar mass
- 270.01 g/mol
- Monoisotopic mass
- 269.93532
Names & identifiers
- Preferred name
- 1,3-Difluoro-5-iodo-2-methoxybenzene
- IUPAC
- 1,3-difluoro-5-iodo-2-methoxybenzene
- English name
- 2,6-Difluoro-4-iodoanisole
- Molecular formula
- C7H5F2IO
- Molecular weight
- 270.02
Names & synonyms
1,3-difluoro-5-iodo-2-methoxybenzeneRefChem:4144162,6-Difluoro-4-iodoanisole886762-68-1MFCD073687871,3-difluoro-5-iodo-2-methoxy-benzeneSCHEMBL3358050DTXSID50382464VPBVKAYYQNPEGB-UHFFFAOYSA-NAKOS005257566PS-7285SY064714
Show more names
Benzene, 1,3-difluoro-5-iodo-2-methoxy-DB-031519E76238F0357671,3-Difluoro-5-iodo-2-methoxybenzene - [D94425]
Database identifiers
- CAS
886762-68-1- PubChem CID
- 2783151
- DTXSID
DTXSID50382464- EC Number
- 642-774-8
- Nikkaji
- J2.829.634G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 234.2 · 234.2±40.0 °C(Predicted)
- Density
- 1.876 · 1.876±0.06 g/cm3(Predicted)
- refractive index
- 1.556 · 1.5560
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Liquid
- Sensitive
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
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 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P280g-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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