return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Molecules with Cl in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
Cl Chlorine atom Cl+ Chlorine atom cation Cl- Chlorine atom anion
HCl Hydrogen chloride HCl+ hydrogen chloride cation HCl- hydrogen chloride anion
DCl Hydrochloric acid-d
LiCl lithium chloride LiCl+ lithium chloride cation LiCl- lithium chloride anion
BeCl beryllium monochloride BeCl+ beryllium monochloride cation BeCl- beryllium monochloride anion
BCl boron monochloride BCl+ boron monochloride cation BCl- boron monochloride anion
CCl carbon monochloride CCl+ carbon monochloride cation CCl- carbon monochloride anion
NCl nitrogen monochloride NCl+ nitrogen monochloride cation NCl- nitrogen monochloride anion
ClO Monochlorine monoxide ClO+ chlorine monoxide cation ClO- chlorine monoxide anion
ClF Chlorine monofluoride ClF+ clorine monofluoride cation ClF- clorine monofluoride anion
NaCl Sodium Chloride NaCl+ sodium chloride cation NaCl- sodium chloride anion
MgCl magnesium monochloride MgCl+ magnesium monochloride cation MgCl- magnesium monochloride anion
AlCl Aluminum monochloride AlCl+ aluminum monochloride cation AlCl- aluminum monochloride anion
SiCl Clorosilylidyne SiCl+ silicon monochloride cation SiCl- silicon monochloride anion
PCl phosphorus chloride PCl+ phosphorus monochloride cation PCl- phosphorus monochloride anion
SCl sulfur monochloride SCl+ sulfur monochloride cation SCl- sulfur monochloride anion
Cl2 Chlorine diatomic Cl2+ chlorine diatomic cation Cl2- chlorine diatomic anion
KCl Potassium Chloride
CaCl calcium monochloride
TiCl Titanium Monochloride
CuCl Copper monochloride
ZnCl Zinc monochloride
GaCl Gallium monochloride GaCl+ Gallium monochloride cation
GeCl Germanium monochloride GeCl+ Germanium monochloride cation
AsCl Arsenic monochloride
SeCl Selenium monochloride
BrCl Bromine monochloride BrCl+ bromine chloride cation BrCl- bromine chloride anion
SbCl Antimony monochloride
ICl Iodine monochloride
   H2Cl+ dihydrogen monochloride cation
SFCl Sulfur chloride fluoride
HCCl Chloromethylene
FClO chlorosyl fluoride
HOCl hypochlorous acid HOCl+ hypochlorous acid cation
DOCl Hypochlorous acid-d
   ClFH+ Chlorine fluoride, F-protonated
   FClH+ Chlorine fluoride, Cl-protonated
ClCN chlorocyanogen
ClCO carbonyl monochloride
CFCl chlorofluoromethylene
ClNO Nitrosyl chloride
HSiCl Chlorosilylene
OClO Chlorine dioxide OClO+ Chlorine dioxide cation OClO- Chlorine dioxide anion
ClOO chloroperoxy radical ClOO+ chloroperoxy cation
ClOF Chlorine hypofluorite
   Cl2H+ Chlorine, protonated
BeCl2 Beryllium chloride
CCl2 dichloromethylene CCl2+ dichloromethylene cation CCl2- dichloromethylene anion
OPCl Phosphorus oxychloride
ClSO Sulfur chloride oxide
Cl2O Dichlorine monoxide
MgCl2 Magnesium dichloride
SiCl2 Dichlorosilylene
ClS2 Sulfur chloride
SCl2 Sulfur dichloride
     Cl3- trichloride anion
CaCl2 Calcium Chloride
ZnCl2 Zinc dichloride
GeCl2 Germanium dichloride
SeCl2 Selenium Dichloride
BrOCl Bromine hypochlorite
   CH2Cl+ chloromethyl cation
NH2Cl chloramine
HCCCl Chloroacetylene
COHCl Formyl chloride
CHFCl Chlorofluoromethyl radical CHFCl+ Chlorofluoromethyl cation
HOClO Chlorous acid
COFCl Carbonic chloride fluoride
BHCl2 Borane, dichloro-
ClNO2 Nitryl chloride
BClF2 Chlorodifluoroborane
ClONO chlorine nitrite
CF2Cl difluorochloromethyl radical
   CHCl2+ dichloromethyl cation
ClO3 Chlorine trioxide
     ClO3- chlorate anion
NHCl2 dichloroamine
ClO2F Chloryl fluoride
ClF3 Chlorine trifluoride
C2Cl2 dichloroacetylene C2Cl2+ dichloroacetylene cation
CHCl2 dichloromethyl radical
CCl2O Phosgene
AlF2Cl Aluminum chloride difluoride
CFCl2 dichlorofluoromethyl radical
ClOOCl Dichlorine dioxide
Cl2CS Thiophosgene
BCl3 Borane, trichloro- BCl3+ Boron Trichloride cation
Na2Cl2 Disodium dichloride
AlFCl2 Aluminum dichloride fluoride
CCl3 Trichloromethyl radical CCl3+ Trichloromethyl cation CCl3- Trichloromethyl anion
SOCl2 thionyl chloride
NCl3 nitrogen trichloride
AlCl3 Aluminum trichloride
SiCl3 trichlorosilyl radical SiCl3+ trichlorosilyl cation
PCl3 Phosphorus trichloride
ClSSCl Disulfur dichloride
SSCl2 Thiothionyl chloride
GaCl3 Gallium trichloride
AsCl3 Arsenous trichloride
SeOCl2 selenium oxychloride
CH2Cl chloromethyl radical
SbCl3 Antimony Trichloride
CH3Cl Methyl chloride CH3Cl+ Methyl chloride cation
CD3Cl methyl chloride d3
   NH3Cl+ protonated monochloroammonia
CH2FCl fluorochloromethane
SiH3Cl chlorosilane
CH2Cl2 Methylene chloride
CHF2Cl difluorochloromethane
HClO3 Chloric Acid
ClONO2 Chlorine nitrate
     ClO4- perchlorate anion
CHFCl2 fluorodichloromethane
CF3Cl Methane, chlorotrifluoro-
SiH2Cl2 dichlorosilane
ClFO3 Perchloryl fluoride
ClOF3 Chlorine trifluoride oxide
CHCl3 Chloroform
CF2Cl2 difluorodichloromethane
CDCl3 trichloromethane-d
CFCl3 Trichloromonofluoromethane
SO2Cl2 Sulfuryl chloride
SiHCl3 Trichlorosilane
CCl4 Carbon tetrachloride CCl4+ Carbon tetrachloride cation
Cl3PO Phosphoryl chloride
SiCl4 Silane, tetrachloro-
SCl4 Sulfur tetrachloride
TiCl4 Titanium tetrachloride
GeH3Cl monochlorogermane
GeCl4 Germanium Tetrachloride
CH2BrCl Methane, bromochloro-
CHFClBr fluorochlorobromomethane
CHBrCl2 Methane, bromodichloro-
CBrClF2 Methane, bromochlorodifluoro-
CBrCl2F bromodichlorofluoromethane
CBrCl3 Methane, bromotrichloro-
CHClBr2 Methane, dibromochloro-
CBr2ClF dibromochlorofluoromethane
CBr2Cl2 dibromodichloromethane
CBr3Cl tribromochloromethane
CH2ClI chloroiodomethane
CHFClI fluorochloroiodomethane
CHCl2I dichloroiodomethane
CCl3I trichloroiodomethane
CFClBrI fluorochlorobromoiodomethane
CCl2I2 dichlorodiiodomethane
   CH3ClH+ methyl chloride, protonated
NH4Cl Ammonium chloride
C2H3Cl Ethene, chloro-
CH3OCl methyl hypochlorite
CHFCHClz (Z)-1-Chloro-2-fluoroethene
CHFCHCl (E)-1-chloro-2-fluoroethene
C2H2ClF 1-chloro-1-fluoroethylene
CH2CCl2 Ethene, 1,1-dichloro-
CHClCHCl Ethene, 1,2-dichloro-, (Z)-
CHClCHCl Ethene, 1,2-dichloro-, (E)-
HClO4 perchloric acid
C2ClF3 Ethene, chlorotrifluoro-
ClCOClCO Oxalyl chloride
ClF5 chlorinepentafluoride
CHClCCl2 Trichloroethylene
CF2CCl2 difluorodichloroethylene
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene
C2FCl3 fluorotrichloroethene
B2Cl4 Diboron tetrachloride
C2Cl4 Tetrachloroethylene
PCl5 Phosphorus pentachloride
SbCl5 Antimony pentachloride
CH2CH2Cl 2-chloroethyl radical
CHClCH3 1-chloroethyl radical
CH3COCl Acetyl Chloride
CH2ClCHO chloroacetaldehyde
CH2ClCCCl 1,3-dichloropropyne
CHClCCHCl 1,3-dichloroallene
CHCl2CCH 3,3-dichloropropyne
CHCl2CHO dichloroacetaldehyde
CF3COCl trifluoroacetyl chloride
CCl3CHO trichloroacetaldehyde
SF5Cl sulfur chloropentafluoride
SiH3CCl3 (trichloromethyl)silane
CH3CH2Cl Ethyl chloride
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CH3CHFCl Ethane, 1-chloro-1-fluoro-
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro-
CH3CHCl2 Ethane, 1,1-dichloro-
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
CH2ClCH2Cl Ethane, 1,2-dichloro-
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CH3CFCl2 1,1-Dichloro-1-fluoroethane
CH3CCl3 Ethane, 1,1,1-trichloro-
CH2ClCHCl2 1,1,2-trichloroethane
CF3CHFCl 1,1,1,2-tetrafluorochloroethane
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR
NH3BCl3 Amminetrichloroboron
SiCl3CH3 methyltrichlorosilane
CF3CF2Cl pentafluorochloroethane
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-
CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro-
CF3CFCl2 1,1-Dichlorotetrafluoroethane
CH2ClCCl3 1,1,1,2-tetrachloroethane
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane
CCl3CHCl2 pentachloroethane
C2Cl6 hexachloroethane
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi-
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
CH2BrCH2Cl 1-bromo-2-chloroethane
C3H5Cl 1-Propene, 3-chloro-
C3H5Cl 1-chloro-1-propene(Z)
C3H5Cl 1-chloro-1-propene(E)
CH2ClCH2OH 2-Chloroethanol
C4H3ClO Furan, 2-chloro
C4H3ClO Furan,3-chloro
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
   CH2ClCH2OH2+ 2-chloroethanol, protonated
CH2CClCHCH2 1,3-Butadiene, 2-chloro-
C3H5ClO Oxirane, (chloromethyl)-
CH3CHClCH3 Propane, 2-chloro-
CH2ClCH2CH3 Propane, 1-chloro-
C3H5ClO2 Carbonochloridic acid, ethyl ester
CH2ClCHClCH3 Propane, 1,2-dichloro-
CHCl2CH2CH3 1,1-dichloropropane
CH2ClCH2CH2Cl 1,3-dichloropropane
CH3CCl2CH3 Propane, 2,2-dichloro-
SiCl2(CH3)2 dichlorodimethylsilane
C3H5Cl3 Propane, 1,2,3-trichloro-
CH2CHCHClCH3 1-Butene, 3-chloro-
CH2ClCHCHCH3 2-Butene, 1-chloro-
CH2CHCH2CH2Cl 1-Butene, 4-chloro-
CH2CClCH2CH3 1-Butene, 2-chloro-
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)-
CH3CClCHCH3 2-Butene, 2-chloro-, (E)-
CHClCHCH2CH3 (Z)-1-Chloro-1-butene
CHClCHCH2CH3 (E)-1-Chloro-1-butene
C6H5Cl chlorobenzene
C6H4Cl2 1,2-dichlorobenzene
C6H4Cl2 1,4-dichlorobenzene
C6H4Cl2 1,3-dichlorobenzene
CH3CHClCH2CH3 Butane, 2-chloro-
CH2ClCH2CH2CH3 Butane, 1-chloro-
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl-
C4H8Cl2 1,4-Dichlorobutane
C4H8Cl2 Butane, 1,2-dichloro-
C4H8Cl2 Butane, 1,3-dichloro-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)-
C4H9ClO 1-Chloro-2-ethoxyethane
C5H11Cl Pentane, 1-chloro-