2-Fluoro-5-iodo-4-methylbenzoic acid
Basic information
- CAS
1300741-56-3- Standard SMILES
Cc1cc(F)c(C(=O)O)cc1I- InChIKey
JPJKIRXNEVXOMT-UHFFFAOYSA-N- Molecular formula
- C8H6FIO2
- Average molar mass
- 280.03 g/mol
- Monoisotopic mass
- 279.93966
Names & identifiers
- Preferred name
- 2-Fluoro-5-iodo-4-methylbenzoic acid
- IUPAC
- 2-fluoro-5-iodo-4-methylbenzoic acid
- English name
- 2-Fluoro-5-iodo-4-methyl-benzoic acid
- Molecular formula
- C8H6FIO2
- Molecular weight
- 280.03
Names & synonyms
2-fluoro-5-iodo-4-methylbenzoic acid1300741-56-3MFCD241072642-fluoro-5-iodo-4-methyl-benzoic acidSCHEMBL17880615SCHEMBL313566422-fluoro-5-iodo-4-methylbenzoicacidAKOS020008203SY129376Benzoic acid, 2-fluoro-5-iodo-4-methyl-DB-116803CS-0190643
Show more names
2-fluoro-5-iodo-4-methylbenzenemacetic acid
E92793EN300-253817F628632
Database identifiers
- CAS
1300741-56-3- PubChem CID
- 81430331
- EC Number
- 116-094-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 345.1 · 345.1±42.0 °C(Predicted)
- Density
- 1.937 · 1.937±0.06 g/cm3(Predicted)
- pka
- 3.09 · 3.09±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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