Basic information
- CAS
34328-46-6- Standard SMILES
O=Cc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
NIHMMULLFBKTOK-UHFFFAOYSA-N- Molecular formula
- C8H4ClF3O
- Average molar mass
- 208.56 g/mol
- Monoisotopic mass
- 207.99027709
Names & identifiers
- Preferred name
- 4-Chloro-3-(trifluoromethyl)benzaldehyde
- IUPAC
- 4-chloro-3-(trifluoromethyl)benzaldehyde
- English name
- 4-Chloro-3-(trifluoromethyl)benzaldehyde
- Molecular formula
- C8H4ClF3O
- Molecular weight
- 208.57
Names & synonyms
4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6EINECS 251-940-5DTXSID50187895RefChem:98417DTXCID10110386251-940-5MFCD000407224-chloro-3-trifluoromethylbenzaldehyde4-chloro-3-trifluoromethyl-benzaldehydeSCHEMBL40676CL8344
Show more names
TIMTEC-BB SBB0034684-chloro-3-trifluorobenzaldehyde2-Chloro-5-formylbenzotrifluoride3-Trifluoromethyl-4-Chlorobenzaldehyde4-Chloro-3-(trifluoromethyl)benzaldehyde>4-Chloro-3-(trifluoromethyl)benzaldehyde98%4-Chloro-3-(trifluoromethyl)benzaldehyde 98%3-trifluoromethyl-4-chlorophenyl carbaldehyde
AKOS0052577853-trifluoromethyl-4-chloro-benzaldehydePS-8032AC-27962SY0206914-Chloro-3-(trifluoromethyl)benzaldehyde, 97%Z1065866152Benzaldehyde, 4-chloro-3-(trifluoromethyl)-
Database identifiers
- CAS
34328-46-6- PubChem CID
- 118642
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 218 °C · 218 °C(lit.)
- Density
- 1.45 g/mL · 1.45 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.504(lit.)
- Flash point
- 227 °F · 227 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear colorless
- Sensitive
- Air Sensitive
- BRN
- 2101897 · 2101897
- InChI
- 1S/C8H4ClF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
- InChIKey
- NIHMMULLFBKTOK-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(C=O)ccc1Cl
- CAS DataBase Reference
- 34328 · 34328-46-6(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 46 reports by companies from 5 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
- 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
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-3-(trifluoromethyl)benzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
General Description4-Chloro-3-(trifluoromethyl)benzaldehyde is a benzaldehyde derivative. Its enthalpy of vaporization at boiling point has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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