SDF/Mol File of CHLOROFORM (CHCl3)
Identification of CHLOROFORM Chemical Compound
Chemical Formula | CHCl3 |
---|---|
Molecular Weight | 119.37674 g/mol |
IUPAC Name | trichloromethane |
SMILES String | ClC(Cl)Cl |
InChI | InChI=1S/CHCl3/c2-1(3)4/h1H |
InChIKey | HEDRZPFGACZZDS-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of CHLOROFORM 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 CHLOROFORM 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.
chemical table area
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 CHLOROFORM Molecule
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Chemical structure of CHLOROFORM
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of CHLOROFORM is available in chemical structure page of CHLOROFORM, 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 CHLOROFORM
The molecular weight of CHLOROFORM is available in molecular weight page of CHLOROFORM, 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 CHLOROFORM
The chemical formula of CHLOROFORM is given in chemical formula page of CHLOROFORM, 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 CHLOROFORM
An alternative way of expressing structural information in text format is InChI. The full standard InChI of CHLOROFORM is:
InChI=1S/CHCl3/c2-1(3)4/h1H
It can provide a standard way to encode the molecular information of CHLOROFORM 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 CHLOROFORM is:
InChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N
The InChIKey may allow easier web searches for CHLOROFORM, but it needs to be linked to the full InChI to get back to the original structure of the CHLOROFORM since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of CHLOROFORM
The CHLOROFORM compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of CHLOROFORM including the registry numbers are listed below, if available:
- Chloroform, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%, contains amylenes as stabilizer
- Chloroform, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform, contains ethanol as stabilizer, meets analytical specification of DAB9, BP, 99-99.4% (GC)
- Chloroform, ACS spectrophotometric grade, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform solution, NMR reference standard, 50% in acetone-d6 (99.9 atom % D), chromium(III) acetylacetonate 0.2 %, NMR tube size 10 mm x 8 in.
- Chloroform solution, NMR reference standard, 50% in acetone-d6 (99.9 atom % D), chromium(III) acetylacetonate 0.2 %
- Chloroform solution, NMR reference standard, 5% in acetone-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 5% in acetone-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
- Chloroform solution, NMR reference standard, 5% in acetone-d6 (99.9 atom % D), chromium(III) acetylacetonate 2 %, NMR tube size 10 mm x 8 in.
- Chloroform solution, NMR reference standard, 5% in acetone-d6 (99.9 atom % D), chromium(III) acetylacetonate 0.2 %
- Chloroform solution, NMR reference standard, 3% in acetone-d6 (99.9 atom % D), TMS 0.2 %, NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 3% in acetone-d6 (99.9 atom % D), TMS 0.2 %, NMR tube size 3 mm x 8 in.
- Chloroform solution, NMR reference standard, 20% in acetone-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 2% in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 2% in chloroform-d (99.8 atom % D), NMR tube size 3 mm x 8 in.
- Chloroform solution, NMR reference standard, 2% in acetone-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 10% in acetone-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99.9 atom % D), NMR tube size 8 mm x 8 in.
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99.9 atom % D), NMR tube size 4 mm x 8 in.
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99.9 atom % D), NMR tube size 10 mm x 8 in.
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99,9 atom % D), TMS 0.1 %, NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 0.3% in acetone-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
- Chloroform solution, NMR reference standard, 0.3% in acetone-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
- 8013-54-5
- Residual Solvent Class 2 - Chloroform, United States Pharmacopeia (USP) Reference Standard
- Residual Solvent - Chloroform, pharmaceutical secondary standard; traceable to USP
- Chloroform, ReagentPlus(R), >=99.8%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform, puriss. p.a., ACS reagent, >=99.8% (chloroform + ethanol, GC)
- Chloroform, p.a., ACS reagent, reag. ISO, 99.8%, contains 50 ppm Amylene
- Chloroform, biotech. grade, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform, ACS spectrophotometric grade, >=99.8%, contains amylenes as stabilizer
- Chloroform, ACS reagent, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform solution, NMR reference standard, 3% in acetone-d6 (99.9 atom % D)
- Chloroform solution, NMR reference standard, 1% in acetone-d6 (99.9 atom % D)
- Chloroform solution, NIST standard reference material, 1% in acetone-d6 (99.9 atom % D)
- Chloroform, UV HPLC spectroscopic, 99.0%, contains 0.6-1.0% Ethanol
- Chloroform, suitable for 300 per JIS, >=99.0%, for residue analysis
- Chloroform, puriss. p.a., reag. ISO, reag. Ph. Eur., 99.0-99.4% (GC)
- Chloroform, anhydrous, >=99%, contains 0.5-1.0% ethanol as stabilizer
- Chloroform, ACS reagent, Reag. Ph. Eur., contains ethanol as stabilizer
- Chloroform solution, certified reference material, 5000 mug/mL in methanol
- Chloroform, UV HPLC spectroscopic, 99.9%, contains 50 ppm Amylene
- Chloroform, SAJ first grade, >=99.0%, contains 0.4-0.8% ethanol
- Chloroform, p.a., ACS reagent, 99.8%, contains 0.005% Amylene
- Chloroform, LR, contains 100 ppm amylene as stabilizer, >=99%
- Chloroform, contains ethanol as stabilizer, ACS reagent, >=99.8%
- Chloroform, contains amylenes as stabilizer, ACS reagent, >=99.8%
- Chloroform, contains 100-200 ppm amylenes as stabilizer, >=99.5%
- Chloroform, AR, contains 100 ppm amylene as stabilizer, >=99.5%
- Chloroform, AR, contains 1-2% ethanol as stabilizer, >=99.5%
- Chloroform, ACS reagent, >=99.8%, contains amylenes as stabilizer
- Chloroform, >=99%, PCR Reagent, contains amylenes as stabilizer
- Chloroform solution, 200 mug/mL in methanol, analytical standard
- Chloroform, pharmaceutical secondary standard; traceable to USP
- Chloroform, HPLC, 99.5% min., stabilized with ethanol 1L
- Chloroform, for residue analysis, suitable for 5000 per JIS
- Chloroform, for HPLC, >=99.8% (chloroform + ethanol, GC)
- Chloroform, anhydrous, contains amylenes as stabilizer, >=99%
- Chloroform, technical grade, 95%, contains 50 ppm Amylene
- I14-111606
- F0001-1775
- Chloroform, technical, amylene stabilized, >=99% (GC)
- Chloroform, for HPLC, >=99.8%, amylene stabilized
- BRD-K88785477-001-01-8
- L023971
- A835850
- 300040X
- 300037X
- WATER DISINFECTION BYPRODUCTS(CHLOROFORM)
- Chloroform, SAJ super special grade, >=99.0%
- Chloroform (stabilized with 2-Methyl-2-butene)
- Y1314
- S0626
- Chloroform, JIS special grade, >=99.0%
- F 20
- Freon 20, R-20, UN 1888
- Chloroform, purification grade, >=99%
- UN 1888
- RTR-022720
- Chloroform, for HPLC, >=99.8%
- Chloroform, for HPLC, >=99.5%
- 8296AF
- Chloroform (stabilized with ethanol)
- Chloroform, Spectrophotometric Grade
- Chloroform, 99.8%, ACS Reagent
- LTBB002580
- 7V31YC746X
- Chloroform - Reagent Grade ACS
- GTPL2503
- Chloroform, p.a., 99.8%
- Chloroform, Environmental Grade
- EyAE(1/4)xIe
- chloroformium pro narcosi
- Chloroform, ethanol-free
- CHLOROFORM, ACS
- Chloroform with amylene
- Chloroform, for HPLC
- tris(chloranyl)methane
- methane trichloride
- trichloro- methane
- Chloroform, for HPLC, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
- trichloro-methane
- Chloroform-
- chloro-form
- chloro form
- trichlorocarbon
- cloroform
- Chloroform [NF XVII]
- CAS-67-66-3
- MFCD00000826
- Chloroform, analytical standard
- CHLOROFORMWith Ethanol
- CHLOROFORMWith Amylene
- Chloroform, HPLC Grade
- Chloroform [UN1888] [Poison]
- EPA Pesticide Chemical Code 020701
- RCRA waste no. U044
- Refrigerant R20
- R 20
- Triclorometano [Italian]
- Trichloormethaan [Dutch]
- Trichlormethan [Czech]
- Methylidyne trichloride
- Cloroformio [Italian]
- Caswell No. 192
- Chloroforme [French]
- 1,1,1-Trichloromethane
- Methenyl chloride
- R 20 (Refrigerant)
- RCRA waste number U044
- Freon 20
- Trichloormethaan
- Cloroformio
- Triclorometano
- CHCl3
- Chloroforme
- Trichlormethan
- Methane trichloride
- Methyl trichloride
- Methenyl trichloride
- Trichloroform
- Methane, trichloro-
- Formyl trichloride
- 67-66-3
- CHLOROFORM
CHLOROFORM Identification Summary Frequently Asked Questions (FAQs)
What’s the CHLOROFORM formula? |
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CHCl3 |
How many atoms and what elements are included in the CHLOROFORM molecule? |
5 atom(s) - 1 Hydrogen atom(s), 1 Carbon atom(s), and 3 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are in the CHLOROFORM structure? |
4 bond(s) - 3 non-H bond(s) |
What’s the CHLOROFORM’s molar mass? |
119.37674 g/mol |
What’s the SMILES structure of CHLOROFORM? |
ClC(Cl)Cl |
What’s the InChI code of CHLOROFORM? |
InChI=1S/CHCl3/c2-1(3)4/h1H |
What’s the InChIKey format of CHLOROFORM? |
HEDRZPFGACZZDS-UHFFFAOYSA-N |
1638
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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).