CAS 477535-43-6 3-Chloro-5-(trifluoromethyl)benzaldehyde (HCID 3857033)

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Basic information

CAS: 477535-43-6
Standard SMILES: O=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIKey: NWSKKQLZBXTZTP-UHFFFAOYSA-N
Molecular formula: C8H4ClF3O
Average molar mass: 208.56 g/mol
Monoisotopic mass: 207.99027709

Names & identifiers

Preferred name: 3-Chloro-5-(trifluoromethyl)benzaldehyde
IUPAC: 3-chloro-5-(trifluoromethyl)benzaldehyde
English name: 3-Chloro-5-(trifluoromethyl)benzaldehyde
Molecular formula: C8H4ClF3O
Molecular weight: 208.57

Names & synonyms

3-chloro-5-(trifluoromethyl)benzaldehyde477535-43-6DTXSID70397419RefChem:278378DTXCID60348278MFCD04115845Benzaldehyde, 3-chloro-5-(trifluoromethyl)-3-Chloro-5-trifluoromethylbenzaldehydeSCHEMBL630462AKOS015890237CS-W015201AB20623

Show more names

3-Chloro-5-(trifluoromethyl)3-Chloro-5-(trifluoromethyl)benzaldehyde3-Chloro-5-(trifluoromethyl)benzaldehyde

AS-19868SY0429985-chloro-3-(trifluoromethyl)benzaldehyde3-chloro-5-(trifluoromethySCHEMBL28434608SCHEMBL29769014SBB0649013-chloro-5-(trifluoromethyl) benzaldehyde

Database identifiers

CAS: 477535-43-6
PubChem CID: 3857033
DTXSID: DTXSID70397419
EC Number: 676-495-8

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Physicochemical properties

Boiling point: 197 ℃ · 197℃
Density: 1.423 · 1.423
Flash point: 73 ℃ · 73℃
refractive index: 1.487 · 1.4870
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Colorless to light yellow Liquid
Sensitive: Air Sensitive
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: Xn
Risk Statements: 22 · 22-36-43
Safety Statements: 26 · 26-36/37
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.