CAS 204339-72-0 3-Fluoro-4-(trifluoromethyl)benzaldehyde (HCID 2737537)

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Basic information

CAS: 204339-72-0
Standard SMILES: O=Cc1ccc(C(F)(F)F)c(F)c1
InChIKey: ZVIQXFUBNNGOJY-UHFFFAOYSA-N
Molecular formula: C8H4F4O
Average molar mass: 192.11 g/mol
Monoisotopic mass: 192.01982763

Names & identifiers

Preferred name: 3-Fluoro-4-(trifluoromethyl)benzaldehyde
IUPAC: 3-fluoro-4-(trifluoromethyl)benzaldehyde
English name: 3-Fluoro-4-(trifluoromethyl)benzaldehyde
Molecular formula: C8H4F4O
Molecular weight: 192.11

Names & synonyms

3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0DTXSID90372122RefChem:279404WLN = VHR CF DXFFF642-787-9Benzaldehyde, 3-fluoro-4-(trifluoromethyl)-MFCD00236275AKOS005258322CS-W015824SY061735EN300-66705

Show more names

3-METHOXY-4-(TRIFLUOROMETHYL)BENZALDEHYDEà,à,à,3-tetrafluoro-p-tolualdehyde3-Fluoro-4-(trifluoromethyl)benzaldehyde97%3-Fluoro-4-(trifluoromethyl)benzaldehyde 97%alpha,alpha,alpha,3-Tetrafluoro-p-tolualdehyde3-Fluoro-4-(trifluoroMethyl)benzaldehyde, 98%+alpha,alpha,alpha,3-Tetrafluoro-p-tolualdehyde, 2-Fluoro-4-formylbenzotrifluoride

FT-0615678A21284SCHEMBL48409SCHEMBL6209867SCHEMBL29438427SBB064360AC-3851PS-8342

Database identifiers

CAS: 204339-72-0
PubChem CID: 2737537
DTXSID: DTXSID90372122

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Physicochemical properties

Boiling point: 199 ℃ · 199℃
Density: 1.383 · 1.383
refractive index: 1.454 · 1.454
Flash point: 73 °C · 73°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Clear, colourless
Sensitive: Air Sensitive
CAS DataBase Reference: 204339 · 204339-72-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (84.8%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.