4-(Trimethylsilyl)benzoic acid
Basic information
- CAS
15290-29-6- Standard SMILES
C[Si](C)(C)c1ccc(C(=O)O)cc1- InChIKey
GKAWVRLBRQRXAG-UHFFFAOYSA-N- Molecular formula
- C10H14O2Si
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07630622
Names & identifiers
- Preferred name
- 4-(Trimethylsilyl)benzoic acid
- IUPAC
- 4-trimethylsilylbenzoic acid
- English name
- 4-(trimethylsilyl)benzoic acid
- Molecular formula
- C10H14O2Si
- Molecular weight
- 194.3
Names & synonyms
4-(trimethylsilyl)benzoic acidDTXSID30299607RefChem:517211DTXCID80250743959-376-815290-29-64-trimethylsilylbenzoic acidBenzoic acid, 4-(trimethylsilyl)-MFCD00092492Benzoic acid, p-(trimethylsilyl)-,NSC1315914-(trimethylsilyl)benzoicacid
Show more names
SCHEMBL105892p-(trimethylsilyl)benzoic acid4-Trimethylsilanyl-benzoic acidSCHEMBL8018862benzoic acid, 4-trimethylsilyl-AKOS030530528NSC-131591CS-13199
Database identifiers
- CAS
15290-29-6- PubChem CID
- 280169
- DTXSID
DTXSID30299607- EC Number
- 959-376-8
- Nikkaji
- J3.468.777C
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 116.5 · 116.5-117.5 °C
- Boiling point
- 281.4 · 281.4±23.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.192 · pKa: 4.192(25°C)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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