CAS 155908-58-0 3-(2,2,2-Trifluoroethoxy)benzaldehyde (HCID 4770947)

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Basic information

CAS: 155908-58-0
Standard SMILES: O=Cc1cccc(OCC(F)(F)F)c1
InChIKey: VXNUKVSIHDRZRA-UHFFFAOYSA-N
Molecular formula: C9H7F3O2
Average molar mass: 204.15 g/mol

Names & identifiers

Preferred name: 3-(2,2,2-Trifluoroethoxy)benzaldehyde
IUPAC: 3-(2,2,2-trifluoroethoxy)benzaldehyde
English name: 3-(2,2,2-trifluoroethoxy)benzaldehyde
Molecular formula: C9H7F3O2
Molecular weight: 204.15

Names & synonyms

3-(2,2,2-trifluoroethoxy)benzaldehyde155908-58-0RefChem:489861817-555-73-(2,2,2-Trifluoroethoxy)-benzaldehydeMFCD07432793Benzaldehyde, 3-(2,2,2-trifluoroethoxy)-3-(2,2,2-trifluoroethoxy) benzaldehyde4893ADSCHEMBL2536091SCHEMBL10714465SCHEMBL29467074

Show more names

ALBB-012531BBL003477SBB024004STK347856AKOS0001902003-(2.2,2-trifluoroethoxy)benzaldehyde3-(2.2.2-trifluoroethoxy)benzaIdehydeVS-01349

Database identifiers

CAS: 155908-58-0
PubChem CID: 4770947
EC Number: 817-555-7

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 230.4 · 230.4±40.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2912490090 · 2912490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2912490090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501