CAS 56442-17-2 4-[(4-Fluorophenyl)methoxy]benzaldehyde (HCID 735860)

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Basic information

CAS: 56442-17-2
Standard SMILES: O=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIKey: QGULWBQOCMQNFD-UHFFFAOYSA-N
Molecular formula: C14H11FO2
Average molar mass: 230.23 g/mol
Monoisotopic mass: 230.07430775

Names & identifiers

Preferred name: 4-[(4-Fluorophenyl)methoxy]benzaldehyde
IUPAC: 4-[(4-fluorophenyl)methoxy]benzaldehyde
English name: 4-(4-Fluorobenzyloxy)benzaldehyde
Molecular formula: C14H11FO2
Molecular weight: 230.23

Names & synonyms

56442-17-24-[(4-fluorophenyl)methoxy]benzaldehyde4-((4-Fluorophenyl)methoxy)benzaldehydeRefChem:509489671-915-64-(4-Fluorobenzyloxy)benzaldehyde4-((4-fluorobenzyl)oxy)benzaldehyde4-[(4-fluorobenzyl)oxy]benzaldehydeMFCD00173650Safinamide Impurity 12ART-CHEM-BB B0142074-(4-Fluorobenzyloxy)benzaldehyde 97%

Show more names

Benzaldehyde, 4-[(4-fluorophenyl)methoxy]-Lactic Acid Impurity 644-(4-Fluorobenzyloxy)benzaldehyde97%4-(4-Fluorobenzyloxy)benzaldehyde,98%

CBMicro_008348ASISCHEM N47999SCHEMBL865238SCHEMBL6462012CHEMBL2088924TIMTEC-BB SBB002110DTXSID50352864AKOS B014207

Database identifiers

CAS: 56442-17-2
PubChem CID: 735860
DTXSID: DTXSID50352864
ChEMBL: CHEMBL2088924
EC Number: 671-915-6

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 96 · 96-100 °C
Boiling point: 370.2 · 370.2±22.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: Beige
Sensitive: Air Sensitive
CAS DataBase Reference: 56442 · 56442-17-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Safety Statements: 24 · 24/25
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 29130000
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501