4-(Trifluoromethyl)benzaldehyde
Completing data — refresh the page later to see the latest
Basic information
- CAS
455-19-6- Standard SMILES
O=Cc1ccc(C(F)(F)F)cc1- InChIKey
BEOBZEOPTQQELP-UHFFFAOYSA-N- Molecular formula
- C8H5F3O
- Average molar mass
- 174.12 g/mol
- Monoisotopic mass
- 174.02924944
Overview
4-(trifluoromethyl)benzaldehyde is a member of benzaldehydes.
Names & identifiers
- Preferred name
- 4-(Trifluoromethyl)benzaldehyde
- IUPAC
- 4-(trifluoromethyl)benzaldehyde
- English name
- 4-(Trifluoromethyl)benzaldehyde
- Molecular formula
- C8H5F3O
- Molecular weight
- 174.12
Names & synonyms
4-(Trifluoromethyl)benzaldehyde455-19-6Benzaldehyde, 4-(trifluoromethyl)-DTXSID00600164-(trifluoromethyl)-benzaldehydePara-(trifluoromethyl)benzaldehydeRefChem:517124DTXCID4040424207-240-74-Trifluoromethylbenzaldehyde1-Formyl-4-trifluoromethylbenzenep-Trifluoromethylbenzaldehyde
Show more names
PTF-BAD4-(TrifLAKOS BBS-00003257LABOTEST-BB LT006162704-Trifluormethyl-benzaldehyd4-(trifluoromethy)benzaldehyd4-(TRIFLUOROMETHY)BENZALDEHYDEP-（Trifluoromethy)benzaldehydeA,A,A-TRIFLUORO-P-TOLUALDEHYDE
alpha,alpha,alpha-Trifluoro-p-tolualdehydeMFCD00006952p-(Trifluoromethyl)benzaldehyde4-trifluoromethyl benzaldehyde.alpha.,.alpha.,.alpha.-Trifluoro-p-tolualdehyde4'-trifluoromethyl benzaldehyde4-trifluoromethyl-benzaldehydeEINECS 207-240-7
Database identifiers
- CAS
455-19-6- PubChem CID
- 67996
- DTXSID
DTXSID0060016- ChEMBL
CHEMBL4473405- ChEBI
CHEBI:156309- EC Number
- 207-240-7
- Nikkaji
- J43.130C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 1 · 1-2°C
- Boiling point
- 66 · 66-67 °C13 mm Hg(lit.)
- Density
- 1.275 g/mL · 1.275 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 1.5 g/l · 1.5g/l
- form
- Liquid
- Specific Gravity
- 1.275 · 1.275
- color
- Clear colorless to yellow
- Water Solubility
- 1.5 g/L · Soluble in water. 1.5 g/L at 20°C
- Sensitive
- Air Sensitive
- BRN
- 1101680 · 1101680
- InChI
- 1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
- InChIKey
- BEOBZEOPTQQELP-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(cc1)C(F)(F)F
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 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information4-(Trifluoromethyl)-benzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (16.4%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- IRRITANT, AIR SENSITIVE
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-(trifluoromethyl)-: ACTIVE
Applications
Uses4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N''-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
298 records
Compound notes
Loading…