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Alkyl Halides

Organic compounds in which a hydrogen atom or more has been replaced by a halogen atom in an alkane molecule (saturated hydrocarbon chain). Halogen atoms include bromine, chlorine, fluorine, and iodine. Compounds may be in closed ring configurations.
Alkyl bromides (23)
Halomethanes (13)
Alkyl iodides (7)
Alkyl fluorides (5)

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Carbon tetrabromide, 98%

CAS: 558-13-4 Molecular Formula: CBr4 Molecular Weight (g/mol): 331.64 MDL Number: MFCD00000117 InChI Key: HJUGFYREWKUQJT-UHFFFAOYSA-N Synonym: carbon tetrabromide,methane, tetrabromo,carbon bromide,methane tetrabromide,bromid uhlicity,carbontetrabromide,methane, tetrabromide,tetrabrommethan,bromid uhlicity czech PubChem CID: 11205 ChEBI: CHEBI:47875 IUPAC Name: tetrabromomethane SMILES: C(Br)(Br)(Br)Br

PubChem CID 11205
CAS 558-13-4
Molecular Weight (g/mol) 331.64
ChEBI CHEBI:47875
MDL Number MFCD00000117
SMILES C(Br)(Br)(Br)Br
Synonym carbon tetrabromide,methane, tetrabromo,carbon bromide,methane tetrabromide,bromid uhlicity,carbontetrabromide,methane, tetrabromide,tetrabrommethan,bromid uhlicity czech
IUPAC Name tetrabromomethane
InChI Key HJUGFYREWKUQJT-UHFFFAOYSA-N
Molecular Formula CBr4
2

tert-Butyl bromide, 98+%, stab. with potassium carbonate

CAS: 507-19-7 Molecular Formula: C4H9Br Molecular Weight (g/mol): 137.02 MDL Number: MFCD00000125 InChI Key: RKSOPLXZQNSWAS-UHFFFAOYSA-N Synonym: tert-butyl bromide,t-butyl bromide,trimethylbromomethane,propane, 2-bromo-2-methyl,bromotrimethylmethane,2-bromoisobutane,tertiarybutyl bromide,tert-butylbromide,2-methyl-2-bromopropane,1-bromo-1,1-dimethylethane PubChem CID: 10485 IUPAC Name: 2-bromo-2-methylpropane SMILES: CC(C)(C)Br

PubChem CID 10485
CAS 507-19-7
Molecular Weight (g/mol) 137.02
MDL Number MFCD00000125
SMILES CC(C)(C)Br
Synonym tert-butyl bromide,t-butyl bromide,trimethylbromomethane,propane, 2-bromo-2-methyl,bromotrimethylmethane,2-bromoisobutane,tertiarybutyl bromide,tert-butylbromide,2-methyl-2-bromopropane,1-bromo-1,1-dimethylethane
IUPAC Name 2-bromo-2-methylpropane
InChI Key RKSOPLXZQNSWAS-UHFFFAOYSA-N
Molecular Formula C4H9Br
3

(S)-(+)-1-Bromo-2-methylbutane, 97%, stab. with potassium carbonate

CAS: 534-00-9 Molecular Formula: C5H11Br Molecular Weight (g/mol): 151.05 MDL Number: MFCD00078662 InChI Key: XKVLZBNEPALHIO-YFKPBYRVSA-N Synonym: s-1-bromo-2-methylbutane,s-+-1-bromo-2-methylbutane,butane, 1-bromo-2-methyl-, 2s,unii-cgs982pbtw,2s-1-bromo-2-methylbutane,d-amyl bromide,cgs982pbtw,2s-1-bromo-2-methyl-butane,+-2-methylbutyl bromide,butane, 1-bromo-2-methyl-, s PubChem CID: 5464167 IUPAC Name: (2S)-1-bromo-2-methylbutane SMILES: CC[C@H](C)CBr

PubChem CID 5464167
CAS 534-00-9
Molecular Weight (g/mol) 151.05
MDL Number MFCD00078662
SMILES CC[C@H](C)CBr
Synonym s-1-bromo-2-methylbutane,s-+-1-bromo-2-methylbutane,butane, 1-bromo-2-methyl-, 2s,unii-cgs982pbtw,2s-1-bromo-2-methylbutane,d-amyl bromide,cgs982pbtw,2s-1-bromo-2-methyl-butane,+-2-methylbutyl bromide,butane, 1-bromo-2-methyl-, s
IUPAC Name (2S)-1-bromo-2-methylbutane
InChI Key XKVLZBNEPALHIO-YFKPBYRVSA-N
Molecular Formula C5H11Br
5

Carbon tetrabromide, 98% (dry wt.), may cont. up to ca 6% water

CAS: 558-13-4 Molecular Formula: CBr4 Molecular Weight (g/mol): 331.627 MDL Number: MFCD00000117 InChI Key: HJUGFYREWKUQJT-UHFFFAOYSA-N Synonym: carbon tetrabromide,methane, tetrabromo,carbon bromide,methane tetrabromide,bromid uhlicity,carbontetrabromide,methane, tetrabromide,tetrabrommethan,bromid uhlicity czech PubChem CID: 11205 ChEBI: CHEBI:47875 IUPAC Name: tetrabromomethane SMILES: C(Br)(Br)(Br)Br

PubChem CID 11205
CAS 558-13-4
Molecular Weight (g/mol) 331.627
ChEBI CHEBI:47875
MDL Number MFCD00000117
SMILES C(Br)(Br)(Br)Br
Synonym carbon tetrabromide,methane, tetrabromo,carbon bromide,methane tetrabromide,bromid uhlicity,carbontetrabromide,methane, tetrabromide,tetrabrommethan,bromid uhlicity czech
IUPAC Name tetrabromomethane
InChI Key HJUGFYREWKUQJT-UHFFFAOYSA-N
Molecular Formula CBr4
6
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Iodoform, 99+%

CAS: 75-47-8 Molecular Formula: CHI3 Molecular Weight (g/mol): 393.72 MDL Number: MFCD00001069 InChI Key: OKJPEAGHQZHRQV-UHFFFAOYSA-N Synonym: triiodomethane,methane, triiodo,carbon triiodide,jodoform,trijodmethane,dezinfekt v,jodoform czech,trijodmethane czech,ccris 346,unii-kxi2j76489 PubChem CID: 6374 ChEBI: CHEBI:37758 IUPAC Name: iodoform SMILES: C(I)(I)I

EDGE
PubChem CID 6374
CAS 75-47-8
Molecular Weight (g/mol) 393.72
ChEBI CHEBI:37758
MDL Number MFCD00001069
SMILES C(I)(I)I
Synonym triiodomethane,methane, triiodo,carbon triiodide,jodoform,trijodmethane,dezinfekt v,jodoform czech,trijodmethane czech,ccris 346,unii-kxi2j76489
IUPAC Name iodoform
InChI Key OKJPEAGHQZHRQV-UHFFFAOYSA-N
Molecular Formula CHI3
7
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Bromotrichloromethane, 99%

CAS: 75-62-7 Molecular Formula: CBrCl3 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00000783 InChI Key: XNNQFQFUQLJSQT-UHFFFAOYSA-N Synonym: methane, bromotrichloro,trichlorobromomethane,bromo trichloro methane,carbon bromotrichloride,monobromotrichloromethane,carbon trichlorobromide,trichloromethyl bromide,caswell no. 118,unii-ikj30qxm63,ccl3br PubChem CID: 6383 IUPAC Name: bromo(trichloro)methane SMILES: C(Cl)(Cl)(Cl)Br

PubChem CID 6383
CAS 75-62-7
Molecular Weight (g/mol) 198.27
MDL Number MFCD00000783
SMILES C(Cl)(Cl)(Cl)Br
Synonym methane, bromotrichloro,trichlorobromomethane,bromo trichloro methane,carbon bromotrichloride,monobromotrichloromethane,carbon trichlorobromide,trichloromethyl bromide,caswell no. 118,unii-ikj30qxm63,ccl3br
IUPAC Name bromo(trichloro)methane
InChI Key XNNQFQFUQLJSQT-UHFFFAOYSA-N
Molecular Formula CBrCl3
8
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Heptafluorobutyric acid, 99%

CAS: 375-22-4 Molecular Formula: C4HF7O2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00004171 InChI Key: YPJUNDFVDDCYIH-UHFFFAOYSA-N Synonym: heptafluorobutyric acid,perfluorobutyric acid,heptafluorobutanoic acid,perfluorobutanoic acid,butanoic acid, heptafluoro,heptafluoro-1-butanoic acid,perfluoropropanecarboxylic acid,butyric acid, heptafluoro,kyselina heptafluormaselna,kyselina heptafluormaselna czech PubChem CID: 9777 ChEBI: CHEBI:39426 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O

PubChem CID 9777
CAS 375-22-4
Molecular Weight (g/mol) 214.04
ChEBI CHEBI:39426
MDL Number MFCD00004171
SMILES C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
Synonym heptafluorobutyric acid,perfluorobutyric acid,heptafluorobutanoic acid,perfluorobutanoic acid,butanoic acid, heptafluoro,heptafluoro-1-butanoic acid,perfluoropropanecarboxylic acid,butyric acid, heptafluoro,kyselina heptafluormaselna,kyselina heptafluormaselna czech
IUPAC Name 2,2,3,3,4,4,4-heptafluorobutanoic acid
InChI Key YPJUNDFVDDCYIH-UHFFFAOYSA-N
Molecular Formula C4HF7O2
9

Iodoform, 99%

CAS: 75-47-8 Molecular Formula: CHI3 Molecular Weight (g/mol): 393.732 MDL Number: MFCD00001069 InChI Key: OKJPEAGHQZHRQV-UHFFFAOYSA-N Synonym: triiodomethane,methane, triiodo,carbon triiodide,jodoform,trijodmethane,dezinfekt v,jodoform czech,trijodmethane czech,ccris 346,unii-kxi2j76489 PubChem CID: 6374 ChEBI: CHEBI:37758 IUPAC Name: iodoform SMILES: C(I)(I)I

PubChem CID 6374
CAS 75-47-8
Molecular Weight (g/mol) 393.732
ChEBI CHEBI:37758
MDL Number MFCD00001069
SMILES C(I)(I)I
Synonym triiodomethane,methane, triiodo,carbon triiodide,jodoform,trijodmethane,dezinfekt v,jodoform czech,trijodmethane czech,ccris 346,unii-kxi2j76489
IUPAC Name iodoform
InChI Key OKJPEAGHQZHRQV-UHFFFAOYSA-N
Molecular Formula CHI3
10

Bromotrichloromethane, 97%

CAS: 75-62-7 Molecular Formula: CBrCl3 Molecular Weight (g/mol): 198.265 MDL Number: MFCD00000783 InChI Key: XNNQFQFUQLJSQT-UHFFFAOYSA-N Synonym: methane, bromotrichloro,trichlorobromomethane,bromo trichloro methane,carbon bromotrichloride,monobromotrichloromethane,carbon trichlorobromide,trichloromethyl bromide,caswell no. 118,unii-ikj30qxm63,ccl3br PubChem CID: 6383 IUPAC Name: bromo(trichloro)methane SMILES: C(Cl)(Cl)(Cl)Br

PubChem CID 6383
CAS 75-62-7
Molecular Weight (g/mol) 198.265
MDL Number MFCD00000783
SMILES C(Cl)(Cl)(Cl)Br
Synonym methane, bromotrichloro,trichlorobromomethane,bromo trichloro methane,carbon bromotrichloride,monobromotrichloromethane,carbon trichlorobromide,trichloromethyl bromide,caswell no. 118,unii-ikj30qxm63,ccl3br
IUPAC Name bromo(trichloro)methane
InChI Key XNNQFQFUQLJSQT-UHFFFAOYSA-N
Molecular Formula CBrCl3
11
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2-Bromo-2-methylpropane, 96%, stabilized

CAS: 507-19-7 Molecular Formula: C4H9Br Molecular Weight (g/mol): 137.02 MDL Number: MFCD00000125 InChI Key: RKSOPLXZQNSWAS-UHFFFAOYSA-N Synonym: tert-butyl bromide,t-butyl bromide,trimethylbromomethane,propane, 2-bromo-2-methyl,bromotrimethylmethane,2-bromoisobutane,tertiarybutyl bromide,tert-butylbromide,2-methyl-2-bromopropane,1-bromo-1,1-dimethylethane PubChem CID: 10485 IUPAC Name: 2-bromo-2-methylpropane SMILES: CC(C)(C)Br

PubChem CID 10485
CAS 507-19-7
Molecular Weight (g/mol) 137.02
MDL Number MFCD00000125
SMILES CC(C)(C)Br
Synonym tert-butyl bromide,t-butyl bromide,trimethylbromomethane,propane, 2-bromo-2-methyl,bromotrimethylmethane,2-bromoisobutane,tertiarybutyl bromide,tert-butylbromide,2-methyl-2-bromopropane,1-bromo-1,1-dimethylethane
IUPAC Name 2-bromo-2-methylpropane
InChI Key RKSOPLXZQNSWAS-UHFFFAOYSA-N
Molecular Formula C4H9Br
12
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Allyl bromide, 99%, stabilized

CAS: 106-95-6 Molecular Formula: C3H5Br Molecular Weight (g/mol): 120.98 MDL Number: MFCD00000244 InChI Key: BHELZAPQIKSEDF-UHFFFAOYSA-N Synonym: allyl bromide,3-bromopropene,1-propene, 3-bromo,3-bromopropylene,3-bromo-1-propene,bromallylene,2-propenyl bromide,1-bromo-2-propene,propene, 3-bromo,allylbromide PubChem CID: 7841 IUPAC Name: 3-bromoprop-1-ene SMILES: C=CCBr

PubChem CID 7841
CAS 106-95-6
Molecular Weight (g/mol) 120.98
MDL Number MFCD00000244
SMILES C=CCBr
Synonym allyl bromide,3-bromopropene,1-propene, 3-bromo,3-bromopropylene,3-bromo-1-propene,bromallylene,2-propenyl bromide,1-bromo-2-propene,propene, 3-bromo,allylbromide
IUPAC Name 3-bromoprop-1-ene
InChI Key BHELZAPQIKSEDF-UHFFFAOYSA-N
Molecular Formula C3H5Br
13

4-Bromoheptane, 97%

CAS: 998-93-6 Molecular Formula: C7H15Br Molecular Weight (g/mol): 179.10 MDL Number: MFCD00039182 InChI Key: BNUTXEKPXPZAIT-UHFFFAOYSA-N Synonym: heptane, 4-bromo,4-bromo-heptane,acmc-20ammr,4-bromoheptane 5g PubChem CID: 70460 IUPAC Name: 4-bromoheptane SMILES: CCCC(Br)CCC

PubChem CID 70460
CAS 998-93-6
Molecular Weight (g/mol) 179.10
MDL Number MFCD00039182
SMILES CCCC(Br)CCC
Synonym heptane, 4-bromo,4-bromo-heptane,acmc-20ammr,4-bromoheptane 5g
IUPAC Name 4-bromoheptane
InChI Key BNUTXEKPXPZAIT-UHFFFAOYSA-N
Molecular Formula C7H15Br
14

Dichloromethane, anhydrous, 99.7+%, packaged under Argon in resealable ChemSeal™ bottles, stab. with amylene

CAS: 75-09-2 Molecular Formula: CH2Cl2 Molecular Weight (g/mol): 84.93 MDL Number: MFCD00000881 InChI Key: YMWUJEATGCHHMB-UHFFFAOYSA-N Synonym: methylene chloride,methylene dichloride,methane, dichloro,methylene bichloride,methane dichloride,solaesthin,solmethine,freon 30,narkotil,aerothene mm PubChem CID: 6344 ChEBI: CHEBI:15767 IUPAC Name: dichloromethane SMILES: ClCCl

PubChem CID 6344
CAS 75-09-2
Molecular Weight (g/mol) 84.93
ChEBI CHEBI:15767
MDL Number MFCD00000881
SMILES ClCCl
Synonym methylene chloride,methylene dichloride,methane, dichloro,methylene bichloride,methane dichloride,solaesthin,solmethine,freon 30,narkotil,aerothene mm
IUPAC Name dichloromethane
InChI Key YMWUJEATGCHHMB-UHFFFAOYSA-N
Molecular Formula CH2Cl2
15
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1-Bromo-3-methylbutane, 99%

CAS: 107-82-4 Molecular Formula: C5H11Br Molecular Weight (g/mol): 151.05 MDL Number: MFCD00000253 InChI Key: YXZFFTJAHVMMLF-UHFFFAOYSA-N Synonym: isoamyl bromide,isopentyl bromide,butane, 1-bromo-3-methyl,3-methylbutyl bromide,4-bromo-2-methylbutane,isobutylmethyl bromide,isopentylbromide,1-bromo-3-methyl-butane,iso-pentyl bromide,unii-czm50594qa PubChem CID: 7891 IUPAC Name: 1-bromo-3-methylbutane SMILES: CC(C)CCBr

PubChem CID 7891
CAS 107-82-4
Molecular Weight (g/mol) 151.05
MDL Number MFCD00000253
SMILES CC(C)CCBr
Synonym isoamyl bromide,isopentyl bromide,butane, 1-bromo-3-methyl,3-methylbutyl bromide,4-bromo-2-methylbutane,isobutylmethyl bromide,isopentylbromide,1-bromo-3-methyl-butane,iso-pentyl bromide,unii-czm50594qa
IUPAC Name 1-bromo-3-methylbutane
InChI Key YXZFFTJAHVMMLF-UHFFFAOYSA-N
Molecular Formula C5H11Br