4-(Trimethylsilyl)phenylboronic Acid (contains varying amounts of Anhydride)

HCID 1710

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Basic information

CAS: 17865-11-1
Standard SMILES: C[Si](C)(C)c1ccc(B(O)O)cc1
InChIKey: NRPZMSUGPMYBCQ-UHFFFAOYSA-N
Molecular formula: C9H15BO2Si
Average molar mass: 194.11 g/mol
Monoisotopic mass: 194.09343665

Names & identifiers

Preferred name: 4-(Trimethylsilyl)phenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (4-trimethylsilylphenyl)boronic acid
English name: 4-(TRIMETHYLSILYL)PHENYLBORONIC ACID
Molecular formula: C9H15BO2Si
Molecular weight: 194.11

Names & synonyms

(4-(Trimethylsilyl)phenyl)boronic acid[4-(trimethylsilyl)phenyl]boronic acid4-(Trimethylsilyl)phenylboronic acid (contains varying amounts of anhydride)RefChem:517218672-616-317865-11-14-(Trimethylsilyl)phenylboronic acid4-Trimethylsilylphenylboronic acid(4-trimethylsilylphenyl)boronic Acid4-TRIMETHYLSILYLBENZENEBORONIC ACIDMFCD000933484-(TRIMETHYLSILYL)BENZENEBORONIC ACID

Show more names

(4-trimethylsilylphenyl)boronic acid 97%minAKOS BRN-04314-(Trimethylsilyl)phenyl]boronic4-triemthylsilylphenylboronic acidp-Trimethylsilylbenzeneboronic acidP-(TRIMETHYLSILYL)PHENYLBORONIC ACID4-(trimethylsilane) phenylboric acid4- (trimethyl silicon) phenylboronic acid

Boronic acid, B-[4-(trimethylsilyl)phenyl]-s20001DTXSID602743264-trimethylsilyl-phenylboronic acid4-Trimethylsilyl phenyl boronic acidCS-W001042DS-14798SY031638

Database identifiers

CAS: 17865-11-1
PubChem CID: 1710
DTXSID: DTXSID60274326
EC Number: 672-616-3
Nikkaji: J1.707.632I

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 173 · 173-178 °C (lit.)
Boiling point: 294.4 · 294.4±42.0 °C(Predicted)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 8.42 · 8.42±0.10(Predicted)
color: White to Almost white
InChI: InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7,11-12H,1-3H3
InChIKey: NRPZMSUGPMYBCQ-UHFFFAOYSA-N
SMILES: B(C1=CC=C([Si](C)(C)C)C=C1)(O)O
CAS DataBase Reference: 17865 · 17865-11-1(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29319090 · 29319090
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29319090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313