Formula 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 |
Chemical Formula Description
The CHLOROFORM molecule contains a total of 5 atom(s). There are 1 Hydrogen atom(s), 1 Carbon atom(s), and 3 Chlorine atom(s). A chemical formula of CHLOROFORM can therefore be written as:
CHCl3
The chemical formula of CHLOROFORM shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
chemical table area
Search Another Formula
Enter another compound to search for formula:
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
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying CHLOROFORM Molecule
-
Structure Data File (SDF/MOL File) of CHLOROFORM
The structure data file (SDF/MOL File) of CHLOROFORM is available for download in the SDF page of CHLOROFORM providing the information about the atoms, bonds, connectivity and coordinates of CHLOROFORM, which is not completely available in the chemical formula representation. The CHLOROFORM structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
-
Chemical structure of CHLOROFORM
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 in the chemical formula of CHLOROFORM and the chemical bonds that hold the atoms together.
-
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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of CHLOROFORM.
-
InChI (IUPAC International Chemical Identifier) information of CHLOROFORM
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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.
-
Other names (synonyms) or registry numbers of CHLOROFORM
The CHLOROFORM compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of CHLOROFORM including the registry numbers is given 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 chemical formula of CHLOROFORM? |
|---|
| CHCl3 |
| How many atoms and what are they in the CHLOROFORM structure? |
| 5 atom(s) - 1 Hydrogen atom(s), 1 Carbon atom(s), and 3 Chlorine atom(s) |
| How many chemical bonds and what are they in the CHLOROFORM structure? |
| 4 bond(s) - 3 non-H bond(s) |
| What’s the molecular weight of CHLOROFORM? |
| 119.37674 g/mol |
| What’s the SMILES string of CHLOROFORM? |
| ClC(Cl)Cl |
| What’s the InChI of CHLOROFORM? |
| InChI=1S/CHCl3/c2-1(3)4/h1H |
| What’s the InChIKey of CHLOROFORM? |
| HEDRZPFGACZZDS-UHFFFAOYSA-N |
4772
The contents of this page can freely be shared if cited as follows:
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).