3-Fluoro-5-(trifluoromethyl)benzaldehyde
Basic information
- CAS
188815-30-7- Standard SMILES
O=Cc1cc(F)cc(C(F)(F)F)c1- InChIKey
UZZYXZWSOWQPIS-UHFFFAOYSA-N- Molecular formula
- C8H4F4O
- Average molar mass
- 192.11 g/mol
- Monoisotopic mass
- 192.0198274
Names & identifiers
- Preferred name
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde
- IUPAC
- 3-fluoro-5-(trifluoromethyl)benzaldehyde
- English name
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde
- Molecular formula
- C8H4F4O
- Molecular weight
- 192.11
Names & synonyms
3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7DTXSID80345582RefChem:93923DTXCID70296655625-512-7UZZYXZWSOWQPIS-UHFFFAOYSA-NBenzaldehyde, 3-fluoro-5-(trifluoromethyl)-MFCD000613123-fluoro-5-trifluoromethylbenzaldehydeSCHEMBL4781133-fluoro-5-trifluromethylbenzaldehyde
Show more names
5-Tetrafluoro-M-Tolualdehyde4-Hydroxy-4-methoxypropiophenone3-Fluoro-5-formylbenzotrifluorideà,à,à,5-tetrafluoro-m-tolualdehyde3-Fluoro-5-(trifluoromethyl)benzaldehyde>3-Fluoro-5-(trifluoromethyl)benzaldehyde97%3-Fluoro-5-(trifluoromethyl)benzaldehyde 97%alpha,alpha,alpha,5-Tetrafluoro-m-tolualdehyde
AKOS005255061CS-W0158233-fluoro-5-trifluoromethyl benzaldehydeAB02438AC-3852AM61394A1564A813273
Database identifiers
- CAS
188815-30-7- PubChem CID
- 605686
- DTXSID
DTXSID80345582- EC Number
- 625-512-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 175 °C · 175 °C (lit.)
- Density
- 1.376 g/mL · 1.376 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.45(lit.)
- Flash point
- 159 °F · 159 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Sensitive
- Air Sensitive
- BRN
- 9121754 · 9121754
- InChI
- 1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
- InChIKey
- UZZYXZWSOWQPIS-UHFFFAOYSA-N
- SMILES
- Fc1cc(C=O)cc(c1)C(F)(F)F
- CAS DataBase Reference
- 188815 · 188815-30-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 47 reports by companies from 6 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 ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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