4-Methoxy-2-(trifluoromethyl)benzaldehyde

HCID 2778286

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Basic information

CAS: 106312-36-1
Standard SMILES: COc1ccc(C=O)c(C(F)(F)F)c1
InChIKey: BVPVUMRIGHMFNV-UHFFFAOYSA-N
Molecular formula: C9H7F3O2
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.03981412

Names & identifiers

Preferred name: 4-Methoxy-2-(trifluoromethyl)benzaldehyde
IUPAC: 4-methoxy-2-(trifluoromethyl)benzaldehyde
English name: 4-Methoxy-2-(trifluoromethyl)benzaldehyde
Molecular formula: C9H7F3O2
Molecular weight: 204.15

Names & synonyms

4-methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1DTXSID50380849RefChem:293791DTXCID30331874642-627-8MFCD010910114-Formyl-3-(trifluoromethyl)anisole4-Methoxy-2-trifluoromethylbenzaldehydeBenzaldehyde, 4-methoxy-2-(trifluoromethyl)-4-Methoxy-2-( trifluoromethyl)benzaldehydeSCHEMBL321663

Show more names

4-Methoxy-2-(trifluoBenzaldehyde,4-methoxy-2-(trifluoromethyl)-4-Methoxy-2-(trifluoromethyl)benzaldehyde>2-Formyl-5-methoxybenzotrifluoride, 4-Formyl-3-(trifluoromethyl)anisole

SBB063622AKOS005256268AC-3855CS-W015422FM69812PS-8146SY050718M2162

Database identifiers

CAS: 106312-36-1
PubChem CID: 2778286
DTXSID: DTXSID50380849
EC Number: 642-627-8
Nikkaji: J3.152.609D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Physicochemical properties

Melting point: 39 · 39-41°C
Boiling point: 256.2 · 256.2±40.0 °C(Predicted)
Density: 1.287 · 1.287±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
form: powder to lump
color: White to Almost white
Sensitive: Air Sensitive
CAS DataBase Reference: 106312 · 106312-36-1(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
Risk Statements: 43 · 43-36/37/38
Safety Statements: 36 · 36/37-37-26
Hazard Note: 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.