Benzenediazonium tetrafluoroborate

HCID 5284485CAS 369-57-3
Substructure searchFind similar structures

Basic information

Standard SMILES
F[B-](F)(F)F.N#[N+]c1ccccc1
InChIKey
JNCLVGMBRSKDED-UHFFFAOYSA-N
Molecular formula
C6H5BF4N2
Average molar mass
191.92 g/mol
Monoisotopic mass
192.048191

Names & identifiers

Preferred name
Benzenediazonium tetrafluoroborate
IUPAC
benzenediazonium tetrafluoroborate
English name
Benzenediazonium,tetrafluoroborate
Molecular formula
BF4*C6H5N2
Molecular weight
0

Names & synonyms

Benzenediazonium tetrafluoroborate369-57-3Phenyldiazonium tetrafluoroborateDTXSID5021467Benzenediazonium fluoborateBenzenediazonium fluoroboratePhenyldiazonium fluoborate (salt)RefChem:117393DTXCID501467820-352-6BENZENEDIAZONIUM,TETRAFLUOROBORATEbenzenediazonium;tetrafluoroborate
Show more names
Ccris 5461Sildenafil Impurity 44Diazobenzene tetrafluoroborateBenzenediazonium·tetrafluoroboronanion
Benzenediazonium, tetrafluoroboranuideMFCD00968947C6H5BF4N2SCHEMBL237168SCHEMBL28241318SCHEMBL29095313JNCLVGMBRSKDED-UHFFFAOYSA-Nbenzenediazonium; tetrafluoroboranuide

Database identifiers

CAS
369-57-3
PubChem CID
5284485
DTXSID
DTXSID5021467
EC Number
820-352-6

Properties

Computed structural properties

Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
121 · 121-122 °C (decomp)
Density
1.53 g/cm3 · 1.53 g/cm3(Temp: 25 °C)
solubility
2 O; · fairly sol polar solvents such as acetonitrile, acetone, pyridine, DMF, DMSO, and HMPA with decomposition; slightly sol water; insol hydrocarbons and Et2O; solubilized in nonpolar media by crown ethers.
color
80 °C · colorless solid after recrystallization; turns pink at 80 °C
EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H228 (66.7%): Flammable solid [Danger Flammable solids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (33.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P210, P240, P241, P260, 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, P370+P378, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryCauses dermatitis in oral and subcutaneous lethal-dose studies of hamsters; [RTECS] See Diazobenzenesulfonic acid. See 4-Nitrobenzenediazonium tetrafluoroborate. See Potassium tetrafluoroborate.
Hazard Classes and CategoriesFlam. Sol. 1 (66.7%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；STOT RE 2 (33.3%)

Safety data

Toxicity
mmo-sat 10 mmol/L CNREA8 42,1446,82
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H302-H319-H315
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

UsesBenzenediazonium Tetrafluoroborate is much higher stability than the corresponding chlorides; shock-insensitive; often used when pure, isolated arenediazonium salts are needed; reagent for introducing aryl, arylazo, arylhydrazono, or amino groups; forms fluoroarenes upon heating; building block for heterocycles.

Preparation methods · 1 item

PreparationPreparative Methods of Benzenediazonium Tetrafluoroborate: The most commonly used procedures consist in diazotization of an aromatic amine (ArNH2) with NaNO2 in aqueous HCl or H2SO4 followed by precipitation of the salt with added NaBF4 or fluoroboric acid. Alternatively, the diazotization can be carried out directly in 40-50% aqueous HBF4. Aromatic amines that do not dissolve in aqueous mineral acids can be reacted with NO+BF4 - in an anhydrous organic solvent or in liquid SO2. This method can also be applied to N-(trimethylsilyl)anilines and for the preparation of those salts that are not easily isolated from water. An improved, high-yielding one-pot procedure employs ArNH2, t-BuONO, and BF3. Et2O in an anhydrous organic solvent, typically CH2Cl2.

Upstream & downstream products

Suppliers33 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Related reactions

17 records
New reaction record

Linked notes

Loading…