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Organochlorides

Organic compounds that contain one or more chlorine atoms.

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1

1,1'-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane adduct, Thermo Scientific Chemicals

CAS: 95464-05-4 Molecular Formula: C35H30Cl4FeP2Pd Molecular Weight (g/mol): 816.64 MDL Number: MFCD00792899 IUPAC Name: Bis(diphenylphosphino)ferrocene]palladium(II) chloride SMILES: [Fe].ClCCl.Cl[Pd]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1

CAS 95464-05-4
Molecular Weight (g/mol) 816.64
MDL Number MFCD00792899
SMILES [Fe].ClCCl.Cl[Pd]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name Bis(diphenylphosphino)ferrocene]palladium(II) chloride
Molecular Formula C35H30Cl4FeP2Pd
2
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Tetrachlorocyclopropene, 98%

CAS: 6262-42-6 Molecular Formula: C3Cl4 Molecular Weight (g/mol): 177.84 MDL Number: MFCD00001267 InChI Key: BLZOHTXDDOAASQ-UHFFFAOYSA-N Synonym: tetrachlorocyclopropene,cyclopropene, tetrachloro,1,2,3,3-tetrachloro-cyclopropene,tetrachlorocycloprop-1-ene,acmc-20ajjz,dsstox_cid_1660,dsstox_rid_76272,dsstox_gsid_21660,cyclopropene,1,2,3,3-tetrachloro PubChem CID: 80428 IUPAC Name: 1,2,3,3-tetrachlorocyclopropene SMILES: C1(=C(C1(Cl)Cl)Cl)Cl

EDGE
PubChem CID 80428
CAS 6262-42-6
Molecular Weight (g/mol) 177.84
MDL Number MFCD00001267
SMILES C1(=C(C1(Cl)Cl)Cl)Cl
Synonym tetrachlorocyclopropene,cyclopropene, tetrachloro,1,2,3,3-tetrachloro-cyclopropene,tetrachlorocycloprop-1-ene,acmc-20ajjz,dsstox_cid_1660,dsstox_rid_76272,dsstox_gsid_21660,cyclopropene,1,2,3,3-tetrachloro
IUPAC Name 1,2,3,3-tetrachlorocyclopropene
InChI Key BLZOHTXDDOAASQ-UHFFFAOYSA-N
Molecular Formula C3Cl4
3

1-Chloroadamantane, 98%

CAS: 935-56-8 Molecular Formula: C10H15Cl Molecular Weight (g/mol): 170.68 MDL Number: MFCD00075627 InChI Key: OZNXTQSXSHODFR-UHFFFAOYSA-N Synonym: 1-adamantyl chloride,adamantyl chloride,3-chloroadamantane,adamantane, 1-chloro,tricyclo 3.3.1.13,7 decane, 1-chloro,1-chlorotricyclo 3.3.1.13,7 decane,3r,5s,7s-1-chloroadamantane,1-chlorotricyclo 3.3.1.1∼3,7∼ decane PubChem CID: 64154 IUPAC Name: 1-chloroadamantane SMILES: ClC12CC3CC(CC(C3)C1)C2

PubChem CID 64154
CAS 935-56-8
Molecular Weight (g/mol) 170.68
MDL Number MFCD00075627
SMILES ClC12CC3CC(CC(C3)C1)C2
Synonym 1-adamantyl chloride,adamantyl chloride,3-chloroadamantane,adamantane, 1-chloro,tricyclo 3.3.1.13,7 decane, 1-chloro,1-chlorotricyclo 3.3.1.13,7 decane,3r,5s,7s-1-chloroadamantane,1-chlorotricyclo 3.3.1.1∼3,7∼ decane
IUPAC Name 1-chloroadamantane
InChI Key OZNXTQSXSHODFR-UHFFFAOYSA-N
Molecular Formula C10H15Cl
4

1-(Chloromethyl)cyclohexanecarbonitrile, 95%, Thermo Scientific™

CAS: 112905-95-0 Molecular Formula: C8H12ClN Molecular Weight (g/mol): 157.641 InChI Key: BWQNUOFYAYIAIY-UHFFFAOYSA-N Synonym: 1-chloromethyl cyclohexanecarbonitrile,1-chloromethyl cyclohexane-1-carbonitrile,cyclohexanecarbonitrile,1-chloromethyl,acmc-20ds23,1-chloromethyl-cyclohexanecarbonitrile PubChem CID: 2794920 IUPAC Name: 1-(chloromethyl)cyclohexane-1-carbonitrile SMILES: C1CCC(CC1)(CCl)C#N

PubChem CID 2794920
CAS 112905-95-0
Molecular Weight (g/mol) 157.641
SMILES C1CCC(CC1)(CCl)C#N
Synonym 1-chloromethyl cyclohexanecarbonitrile,1-chloromethyl cyclohexane-1-carbonitrile,cyclohexanecarbonitrile,1-chloromethyl,acmc-20ds23,1-chloromethyl-cyclohexanecarbonitrile
IUPAC Name 1-(chloromethyl)cyclohexane-1-carbonitrile
InChI Key BWQNUOFYAYIAIY-UHFFFAOYSA-N
Molecular Formula C8H12ClN
5

2-Chloro-2-methylnonane, 90+%

CAS: 4325-50-2 Molecular Formula: C10H21Cl Molecular Weight (g/mol): 176.728 MDL Number: MFCD00060781 InChI Key: QDJXQCKHBZEIJM-UHFFFAOYSA-N Synonym: dimethyloctyl chloride,acmc-20ao0l,2-chloro-2-methyl-nonane,nonane,2-chloro-2-methyl PubChem CID: 138189 IUPAC Name: 2-chloro-2-methylnonane SMILES: CCCCCCCC(C)(C)Cl

PubChem CID 138189
CAS 4325-50-2
Molecular Weight (g/mol) 176.728
MDL Number MFCD00060781
SMILES CCCCCCCC(C)(C)Cl
Synonym dimethyloctyl chloride,acmc-20ao0l,2-chloro-2-methyl-nonane,nonane,2-chloro-2-methyl
IUPAC Name 2-chloro-2-methylnonane
InChI Key QDJXQCKHBZEIJM-UHFFFAOYSA-N
Molecular Formula C10H21Cl
6

1-Chlorobutane, HPLC Grade, 99.5+%

CAS: 109-69-3 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00001009 InChI Key: VFWCMGCRMGJXDK-UHFFFAOYSA-N Synonym: butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane PubChem CID: 8005 IUPAC Name: 1-chlorobutane SMILES: CCCCCl

PubChem CID 8005
CAS 109-69-3
Molecular Weight (g/mol) 92.57
MDL Number MFCD00001009
SMILES CCCCCl
Synonym butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane
IUPAC Name 1-chlorobutane
InChI Key VFWCMGCRMGJXDK-UHFFFAOYSA-N
Molecular Formula C4H9Cl
7

1,3-Dichloropropane, 95%

CAS: 142-28-9 Molecular Formula: C3H6Cl2 Molecular Weight (g/mol): 112.981 MDL Number: MFCD00000999 InChI Key: YHRUOJUYPBUZOS-UHFFFAOYSA-N Synonym: trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan PubChem CID: 8881 IUPAC Name: 1,3-dichloropropane SMILES: C(CCl)CCl

PubChem CID 8881
CAS 142-28-9
Molecular Weight (g/mol) 112.981
MDL Number MFCD00000999
SMILES C(CCl)CCl
Synonym trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan
IUPAC Name 1,3-dichloropropane
InChI Key YHRUOJUYPBUZOS-UHFFFAOYSA-N
Molecular Formula C3H6Cl2
8

tert-Butyl 2,2,2-trichloroacetimidate, 97%

CAS: 98946-18-0 Molecular Formula: C6H10Cl3NO Molecular Weight (g/mol): 218.50 MDL Number: MFCD00077410 InChI Key: CQXDYHPBXDZWBA-UHFFFAOYSA-N PubChem CID: 2734700 IUPAC Name: tert-butyl 2,2,2-trichloroethanimidate SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl

PubChem CID 2734700
CAS 98946-18-0
Molecular Weight (g/mol) 218.50
MDL Number MFCD00077410
SMILES CC(C)(C)OC(=N)C(Cl)(Cl)Cl
IUPAC Name tert-butyl 2,2,2-trichloroethanimidate
InChI Key CQXDYHPBXDZWBA-UHFFFAOYSA-N
Molecular Formula C6H10Cl3NO
9

Tetrachloroethylene, Ultrapure, Spectrophotometric Grade, 99+%

CAS: 127-18-4 Molecular Formula: C2Cl4 Molecular Weight (g/mol): 165.82 MDL Number: MFCD00000834 InChI Key: CYTYCFOTNPOANT-UHFFFAOYSA-N Synonym: tetrachloroethylene,tetrachloroethene,perchloroethylene,perchlorethylene,perc,ethene, tetrachloro,tetrachlorethylene,ethylene tetrachloride,carbon dichloride,ankilostin PubChem CID: 31373 ChEBI: CHEBI:17300 IUPAC Name: 1,1,2,2-tetrachloroethene SMILES: ClC(Cl)=C(Cl)Cl

PubChem CID 31373
CAS 127-18-4
Molecular Weight (g/mol) 165.82
ChEBI CHEBI:17300
MDL Number MFCD00000834
SMILES ClC(Cl)=C(Cl)Cl
Synonym tetrachloroethylene,tetrachloroethene,perchloroethylene,perchlorethylene,perc,ethene, tetrachloro,tetrachlorethylene,ethylene tetrachloride,carbon dichloride,ankilostin
IUPAC Name 1,1,2,2-tetrachloroethene
InChI Key CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula C2Cl4
10

1-Bromo-2-chloroethane, 98%

CAS: 107-04-0 Molecular Formula: C2H4BrCl Molecular Weight (g/mol): 143.408 MDL Number: MFCD00000962 InChI Key: IBYHHJPAARCAIE-UHFFFAOYSA-N Synonym: ethylene chlorobromide,2-chloroethyl bromide,1-chloro-2-bromoethane,2-bromoethyl chloride,ethane, 1-bromo-2-chloro,2-bromo-1-chloroethane,s-chlorobromoethane,1,2-bromochloroethane,beta-chloroethyl bromide,sym-chlorobromoethane PubChem CID: 7849 ChEBI: CHEBI:19032 IUPAC Name: 1-bromo-2-chloroethane SMILES: C(CBr)Cl

PubChem CID 7849
CAS 107-04-0
Molecular Weight (g/mol) 143.408
ChEBI CHEBI:19032
MDL Number MFCD00000962
SMILES C(CBr)Cl
Synonym ethylene chlorobromide,2-chloroethyl bromide,1-chloro-2-bromoethane,2-bromoethyl chloride,ethane, 1-bromo-2-chloro,2-bromo-1-chloroethane,s-chlorobromoethane,1,2-bromochloroethane,beta-chloroethyl bromide,sym-chlorobromoethane
IUPAC Name 1-bromo-2-chloroethane
InChI Key IBYHHJPAARCAIE-UHFFFAOYSA-N
Molecular Formula C2H4BrCl
11

1-Chloro-2-methylpropane, 98%

CAS: 513-36-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 MDL Number: MFCD00000954 InChI Key: QTBFPMKWQKYFLR-UHFFFAOYSA-N PubChem CID: 10554 IUPAC Name: 1-chloro-2-methylpropane SMILES: CC(C)CCl

PubChem CID 10554
CAS 513-36-0
Molecular Weight (g/mol) 92.566
MDL Number MFCD00000954
SMILES CC(C)CCl
IUPAC Name 1-chloro-2-methylpropane
InChI Key QTBFPMKWQKYFLR-UHFFFAOYSA-N
Molecular Formula C4H9Cl
12

1,6-Dichlorohexane, 98%

CAS: 2163-00-0 Molecular Formula: C6H12Cl2 Molecular Weight (g/mol): 155.062 MDL Number: MFCD00001020 InChI Key: OVISMSJCKCDOPU-UHFFFAOYSA-N Synonym: hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml PubChem CID: 16551 IUPAC Name: 1,6-dichlorohexane SMILES: C(CCCCl)CCCl

PubChem CID 16551
CAS 2163-00-0
Molecular Weight (g/mol) 155.062
MDL Number MFCD00001020
SMILES C(CCCCl)CCCl
Synonym hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml
IUPAC Name 1,6-dichlorohexane
InChI Key OVISMSJCKCDOPU-UHFFFAOYSA-N
Molecular Formula C6H12Cl2
13

3-Chloropropionitrile, 98%

CAS: 542-76-7 Molecular Formula: C3H4ClN Molecular Weight (g/mol): 89.52 MDL Number: MFCD00001952 InChI Key: GNHMRTZZNHZDDM-UHFFFAOYSA-N Synonym: 3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027 PubChem CID: 10963 IUPAC Name: 3-chloropropanenitrile SMILES: ClCCC#N

PubChem CID 10963
CAS 542-76-7
Molecular Weight (g/mol) 89.52
MDL Number MFCD00001952
SMILES ClCCC#N
Synonym 3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027
IUPAC Name 3-chloropropanenitrile
InChI Key GNHMRTZZNHZDDM-UHFFFAOYSA-N
Molecular Formula C3H4ClN
14

tert-Butyl chloride, 98+%

CAS: 507-20-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 MDL Number: MFCD00000816 InChI Key: NBRKLOOSMBRFMH-UHFFFAOYSA-N Synonym: tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride PubChem CID: 10486 IUPAC Name: 2-chloro-2-methylpropane SMILES: CC(C)(C)Cl

PubChem CID 10486
CAS 507-20-0
Molecular Weight (g/mol) 92.566
MDL Number MFCD00000816
SMILES CC(C)(C)Cl
Synonym tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride
IUPAC Name 2-chloro-2-methylpropane
InChI Key NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular Formula C4H9Cl
15
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2-Chloro-2-methylpropane, 99%

CAS: 507-20-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00000816 InChI Key: NBRKLOOSMBRFMH-UHFFFAOYSA-N Synonym: tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride PubChem CID: 10486 IUPAC Name: 2-chloro-2-methylpropane SMILES: CC(C)(C)Cl

PubChem CID 10486
CAS 507-20-0
Molecular Weight (g/mol) 92.57
MDL Number MFCD00000816
SMILES CC(C)(C)Cl
Synonym tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride
IUPAC Name 2-chloro-2-methylpropane
InChI Key NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular Formula C4H9Cl