Trimethyl(phosphooxy)silane

HCID 16133246CAS 40623-46-9

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Basic information

Standard SMILES: C[Si](C)(C)OP(=O)=O
InChIKey: YSVQLWJDHYBITL-UHFFFAOYSA-N
Molecular formula: C3H9O3PSi
Average molar mass: 152.16 g/mol
Monoisotopic mass: 152.00585768

Names & identifiers

Preferred name: Trimethyl(phosphooxy)silane
English name: Trimethylsilyl polyphosphate
Molecular formula: C3H9O3PSi
Molecular weight: 152.161021

Names & synonyms

40623-46-9PPSETRIMETHYL(PHOSPHOOXY)SILANEC3H9O3PSiSCHEMBL29351330DTXSID90583190PPSE,Polyphosphoric acid trimethylsilyl esterPOLYPHOSPHORIC ACID TRIMETHYLSILYL ESTERTrimethylsilyl polyphosphatePolyphosphoric acid trimethylsilyl ester, PPSE

Database identifiers

CAS: 40623-46-9
PubChem CID: 16133246
DTXSID: DTXSID90583190

Properties

Computed structural properties

Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 120

Physicochemical properties

Density: 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.434
Flash point: 40 °F · 40 °F
storage temp.: 2 · 2-8°C
form: liquid
InChI: 1S/C3H9O3PSi/c1-8(2,3)6-7(4)5/h1-3H3
InChIKey: YSVQLWJDHYBITL-UHFFFAOYSA-N
SMILES: C[Si](C)(C)OP(=O)=O
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38-11
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 3.1 · 3.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 36/37/38-11
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
safety_code: 26-36
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesMicrowave-Assisted Synthesis of 2-Aryl-2-oxazolines, 5,6-Dihydro-4H-1,3-oxazines, and 4,5,6,7-Tetrahydro-1,3-oxazepines: Utilizes trimethylsilyl polyphosphate under solvent-free conditions for the efficient preparation of various oxazolines and oxazines (MC Mollo, LR Orelli, 2016).