SDF/Mol File of BORON TRIFLUORIDE (BF3)
Identification of BORON TRIFLUORIDE Chemical Compound
| Chemical Formula | BF3 |
|---|---|
| Molecular Weight | 67.80621 g/mol |
| IUPAC Name | trifluoroborane |
| SMILES String | FB(F)F |
| InChI | InChI=1S/BF3/c2-1(3)4 |
| InChIKey | WTEOIRVLGSZEPR-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of BORON TRIFLUORIDE is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of BORON TRIFLUORIDE molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying BORON TRIFLUORIDE Molecule
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Chemical structure of BORON TRIFLUORIDE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of BORON TRIFLUORIDE is available in chemical structure page of BORON TRIFLUORIDE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of BORON TRIFLUORIDE
The molecular weight of BORON TRIFLUORIDE is available in molecular weight page of BORON TRIFLUORIDE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of BORON TRIFLUORIDE
The chemical formula of BORON TRIFLUORIDE is given in chemical formula page of BORON TRIFLUORIDE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of BORON TRIFLUORIDE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of BORON TRIFLUORIDE is:
InChI=1S/BF3/c2-1(3)4
It can provide a standard way to encode the molecular information of BORON TRIFLUORIDE to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of BORON TRIFLUORIDE is:
InChIKey=WTEOIRVLGSZEPR-UHFFFAOYSA-N
The InChIKey may allow easier web searches for BORON TRIFLUORIDE, but it needs to be linked to the full InChI to get back to the original structure of the BORON TRIFLUORIDE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of BORON TRIFLUORIDE
The BORON TRIFLUORIDE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of BORON TRIFLUORIDE including the registry numbers are listed below, if available:
- Boron trifluoride - 1-butanol solution, ~10% in 1-butanol (>=1.3 M), for GC derivatization
- 372-85-0
- 155123-44-7
- Boron trifluoride - methanol reagent (10-20%) [for esterification] (1ml*10)
- Boron trifluoride, compressed [UN1008] [Poison gas]
- I14-52398
- Boron trifluoride, compressed [UN1008] [Poison gas]
- Boron trifluoride, electronic grade, >=99.99%
- Boron Trifluoride - Isopropyl Alcohol Reagent
- 16045-88-8
- 15875-25-9
- 109704-87-2
- UN 1008
- MFCD00011316
- Boron Trifluoride - Propanol Reagent
- Boron Trifluoride - Methanol Reagent
- Boron Trifluoride - Butanol Reagent
- [BF3]
- Boron trifluoride, >=99.5%
- Leecure B series (Salt/Mix)
- Boron trifluoride, compressed
- 7JGD48PX8P
- Borane-11B, trifluoro-
- (11B)Boron trifluoride
- boron triflouride
- Trifluoro-borane
- boron trifluride
- trifluoridoboron
- Bortrifluorid
- trifluoroborate
- BF3 - Butanol solution, 10 % (w/w)
- BF3
- 353-41-3
- trifluoro Boron
- Borontrifluoride
- Fluorure de bore [French]
- Fluorure de bore
- Boron fluoride (BF3)
- Anca 1040
- Trifluoroboron
- Borane, trifluoro-
- Boron fluoride
- BORON TRIFLUORIDE
- 7637-07-2
BORON TRIFLUORIDE Identification Summary Frequently Asked Questions (FAQs)
| What’s the BORON TRIFLUORIDE formula? |
|---|
| BF3 |
| How many atoms and what elements are included in the BORON TRIFLUORIDE molecule? |
| 4 atom(s) - 3 Fluorine atom(s) and 1 Boron atom(s) |
| How many chemical bonds and what kind of bonds are in the BORON TRIFLUORIDE structure? |
| 3 bond(s) - 3 non-H bond(s) |
| What’s the BORON TRIFLUORIDE’s molar mass? |
| 67.80621 g/mol |
| What’s the SMILES structure of BORON TRIFLUORIDE? |
| FB(F)F |
| What’s the InChI code of BORON TRIFLUORIDE? |
| InChI=1S/BF3/c2-1(3)4 |
| What’s the InChIKey format of BORON TRIFLUORIDE? |
| WTEOIRVLGSZEPR-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).