CAS 96013-95-5 3-(t-Butyldimethylsilyloxy)benzaldehyde (HCID 11207111)

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Basic information

CAS: 96013-95-5
Standard SMILES: CC(C)(C)[Si](C)(C)Oc1cccc(C=O)c1
InChIKey: AAEJMRFPMLLTIX-UHFFFAOYSA-N
Molecular formula: C13H20O2Si
Average molar mass: 236.38 g/mol
Monoisotopic mass: 236.12325641

Names & identifiers

Preferred name: 3-(t-Butyldimethylsilyloxy)benzaldehyde
IUPAC: 3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
English name: 3-tert-Butyldimethylsilyloxybenzaldehyde
Molecular formula: C13H20O2Si
Molecular weight: 236.38

Names & synonyms

96013-95-53-(t-Butyldimethylsilyloxy)benzaldehydeDTXSID40458768RefChem:275980DTXCID304095873-((tert-butyldimethylsilyl)oxy)benzaldehyde3-tert-Butyldimethylsilyloxybenzaldehyde3-[tert-butyl(dimethyl)silyl]oxybenzaldehydeBenzaldehyde, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[(TERT-BUTYLDIMETHYLSILYL)OXY]BENZALDEHYDE3-(tert-Butyl-dimethyl-sylanyloxy)benzaldehyde3-(tert-butyldimethylsilyloxy)benzaldehyde

Show more names

SCHEMBL1010834AAEJMRFPMLLTIX-UHFFFAOYSA-NWDA01395MFCD30475343AS-913523-((t-Butyldimethylsilyl)oxy)benZaldehyde3-(t-Butyl-dimethylsilanyloxy)benzaldehyde3-(tert-butyldimethylsilanyloxy)benzaldehyde

Database identifiers

CAS: 96013-95-5
PubChem CID: 11207111
DTXSID: DTXSID40458768
EC Number: 100-108-9
Nikkaji: J699.523C

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Physicochemical properties

Boiling point: 28 · 28-135 °C(Press: 2 Torr)
Density: 0.971 · 0.971±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses3-tert-Butyldimethylsilyloxybenzaldehyde is a chemical reagent used in the preparation of intermediates of nhatrangins, aplysiatoxins, and other cyanotoxins produced by cyanobacteria.