2,4-Bis(trifluoromethyl)benzaldehyde

HCID 2736095CAS 59664-42-5

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Basic information

Standard SMILES: O=Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIKey: DLRCWXOCZIUZBS-UHFFFAOYSA-N
Molecular formula: C9H4F6O
Average molar mass: 242.12 g/mol
Monoisotopic mass: 242.01663407

Names & identifiers

Preferred name: 2,4-Bis(trifluoromethyl)benzaldehyde
IUPAC: 2,4-bis(trifluoromethyl)benzaldehyde
English name: 2,4-BIS(TRIFLUOROMETHYL)BENZALDEHYDE
Molecular formula: C9H4F6O
Molecular weight: 242.12

Names & synonyms

2,4-Bis(trifluoromethyl)benzaldehyde59664-42-5DTXSID80371124RefChem:246034DTXCID00322158626-496-4MFCD00083535Benzaldehyde, 2,4-bis(trifluoromethyl)-2,4-Bis-trifluoromethyl-benzaldehydeSCHEMBL472401SCHEMBL27037822,4-bistrifluoromethylbenzaldehyde

Show more names

2,4-Bis(trifluoromethyl2,4-DI(TRIFLUOROMETHYL)BENZALDEHYDE2,4-Bis(trifluoromethyl)benzaldehyde>2,4-Bis(trifluoromethyl)benzaldehyde98%2,4-Bis(trifluoromethyl)benzaldehyde 98%

2,4-bis trifluoromethyl benzaldehydeCL8246SBB0646892,4-Bis(trifluoromethyl)-benzaldehydeAKOS005258244CS-W012783DS-1643PS-7565

Database identifiers

CAS: 59664-42-5
PubChem CID: 2736095
DTXSID: DTXSID80371124
EC Number: 626-496-4
Nikkaji: J3.259.111F

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 256

Physicochemical properties

Boiling point: 172 °C · 172 °C(lit.)
Density: 1.48 g/mL · 1.48 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.422(lit.)
Flash point: 155 °F · 155 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: clear liquid
color: Colorless to Light yellow
Sensitive: Air Sensitive
CAS DataBase Reference: 59664 · 59664-42-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P280a-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 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

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
Hazard statements: H227-H315-H319-H335
Precautionary statements: P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P280a-P405-P501a