3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde

HCID 736336

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Basic information

CAS: 261763-02-4
Standard SMILES: O=Cc1cc(C(F)(F)F)cc(Cl)c1F
InChIKey: MSZTVIFIFJCNRQ-UHFFFAOYSA-N
Molecular formula: C8H3ClF4O
Average molar mass: 226.55 g/mol
Monoisotopic mass: 225.98085528

Names & identifiers

Preferred name: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
IUPAC: 3-chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
English name: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
Molecular formula: C8H3ClF4O
Molecular weight: 226.56

Names & synonyms

3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-4DTXSID40352999RefChem:93393DTXCID30304063620-648-3Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-MFCD01631510SCHEMBL6601343-chloro-2-fluoro-5-trifluoromethyl-benzaldehydeAKOS015848532PS-7761

Show more names

TIMTEC-BB SBB0033133-CHLORO-2-FLUORO-5-(TRIFLUORORMETHYL) B5-chloro-6,ααα-tetrafluoro m-tolualdehyde3-Chloro-2-fluoro-5-(triflroromethyl)benzaldehyde3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde 98%3-Chloro-2-fluoro-5-(triflroromethyl)benzaldehyde, 95%5-CHLORO-6,ALPHA,ALPHA,ALPHA-TETRAFLUORO M-TOLUALDEHYDE3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde - [C71744]

SY061847CS-0102171SCHEMBL30711864SBB003313FC91607FT-0615DB-046872ST50826946

Database identifiers

CAS: 261763-02-4
PubChem CID: 736336
DTXSID: DTXSID40352999
EC Number: 620-648-3

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 218

Physicochemical properties

Boiling point: 196 °C · 196 °C(lit.)
Density: 1.54 g/mL · 1.54 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.476(lit.)
Flash point: 205 °F · 205 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless
Sensitive: Air Sensitive
CAS DataBase Reference: 261763 · 261763-02-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29130000 · 29130000

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.