2-Chloro-3-(trifluoromethyl)benzaldehyde
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Basic information
- CAS
93118-03-7- Standard SMILES
O=Cc1cccc(C(F)(F)F)c1Cl- InChIKey
KUNCMOAFNYLOSC-UHFFFAOYSA-N- Molecular formula
- C8H4ClF3O
- Average molar mass
- 208.56 g/mol
- Monoisotopic mass
- 207.99027709
Names & identifiers
- Preferred name
- 2-Chloro-3-(trifluoromethyl)benzaldehyde
- IUPAC
- 2-chloro-3-(trifluoromethyl)benzaldehyde
- English name
- 2-CHLORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE
- Molecular formula
- C8H4ClF3O
- Molecular weight
- 208.57
Names & synonyms
2-Chloro-3-(trifluoromethyl)benzaldehyde93118-03-7DTXSID30371518RefChem:258512DTXCID00322552624-602-32-Chloro-3-trifluoromethylbenzaldehydeMFCD00792414TIMTEC-BB SBB003469ATTERCOP-CHM AT119733AS014452-Choro-3-(trifluoromethyl)benzaldehyde
Show more names
2-Fluoro-4-hydroxybenzonitrile3-Chloro-6-fluoroacetophenone2-Chloro-3-(trifluoromethyl)benzaldehyde98%2-Chloro-3-(trifluoromethyl)benzaldehyde 98%2-CHLORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE ISO 9001：2015 REACH
Benzaldehyde, 2-chloro-3-(trifluoromethyl)-SCHEMBL696649SCHEMBL2515771SBB003469AKOS005258349AC-3830CS-W015203PS-8035
Database identifiers
- CAS
93118-03-7- PubChem CID
- 2736672
- DTXSID
DTXSID30371518- EC Number
- 624-602-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- 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
- Melting point
- 37 · 37-43 °C (lit.)
- Boiling point
- 216.6 · 216.6±35.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Crystals or Powder
- color
- White to off-white
- Sensitive
- Air Sensitive
- BRN
- 3543607 · 3543607
- InChI
- 1S/C8H4ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
- InChIKey
- KUNCMOAFNYLOSC-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cccc(C=O)c1Cl
- CAS DataBase Reference
- 93118 · 93118-03-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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 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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29122900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- 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
Uses2-Chloro-3-(trifluoromethyl)benzaldehyde can be used as an organic synthesis intermediate, which can be prepared by reacting 2-trifluoromethyl-chlorobenzene with n-butyllithium. It can be used to prepare the pharmaceutical intermediate (2-chloro-3-trifluoromethylbenzyl)cyclopropylamine.
Uses4-Chloro-3-(trifluoromethyl)benzaldehyde is a substituted benzaldehyde.
General Description4-Chloro-3-(trifluoromethyl)benzaldehyde is a substituted benzaldehyde.
Upstream & downstream products
Upstream raw materials
Related reactions
49 records
Compound notes
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