2-Fluoro-3-iodobenzoic acid
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Basic information
- CAS
447464-03-1- Standard SMILES
O=C(O)c1cccc(I)c1F- InChIKey
FVLHWICBHZCKED-UHFFFAOYSA-N- Molecular formula
- C7H4FIO2
- Average molar mass
- 266.01 g/mol
- Monoisotopic mass
- 265.92401
Names & identifiers
- Preferred name
- 2-Fluoro-3-iodobenzoic acid
- IUPAC
- 2-fluoro-3-iodobenzoic acid
- English name
- 2-FLUORO-3-IODOBENZOIC ACID
- Molecular formula
- C7H4FIO2
- Molecular weight
- 266.01
Names & synonyms
2-Fluoro-3-iodobenzoic acid447464-03-1DTXSID30453565RefChem:260865DTXCID20404384805-049-9MFCD077742482-fluoro-3-iodo-benzoic AcidSCHEMBL363107AKOS015919935GS-4034SY107047
Show more names
BUTTPARK 122\01-03
EN300-123551Z1269149504BENZOIC ACID, 2-FLUORO-3-IODO-2-FLUORO-3-IODOBENZOICACIDAM62553A20336CL8043SBB102975
Database identifiers
- CAS
447464-03-1- PubChem CID
- 11054589
- DTXSID
DTXSID30453565- EC Number
- 805-049-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 331 · 331.0±27.0 °C(Predicted)
- Density
- 2.074 · 2.074±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.92 · 2.92±0.10(Predicted)
- form
- crystalline powder
- color
- Faint brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HS Code
- 2916399090 · 2916399090
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 3 reports by companies from 3 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
- 2916399090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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