Product Name

  • Name

    1,4-Benzenedisulfonyl dichloride

  • EINECS
  • CAS No. 6461-77-4
  • Article Data5
  • CAS DataBase
  • Density 1.691 g/cm3
  • Solubility
  • Melting Point 138 °C
  • Formula C6H4Cl2O4S2
  • Boiling Point 375.549 °C at 760 mmHg
  • Molecular Weight 275.133
  • Flash Point 180.926 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6461-77-4 (1,4-Benzenedisulfonyl dichloride)
  • Hazard Symbols
  • Synonyms p-Benzenedisulfonylchloride (6CI,7CI,8CI);1,4-Benzenedisulfonyl chloride;p-Bis(chlorosulfonyl)benzene;benzene-1,4-disulfonyl dichloride;
  • PSA 85.04000
  • LogP 3.70320

Synthetic route

benzene-1,4-dithiol
624-39-5

benzene-1,4-dithiol

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid
Multi-step reaction with 4 steps
1: alkali
2: nitric acid
3: concentrated hydriodic acid
4: glacial acetic acid; chlorine
View Scheme
Multi-step reaction with 5 steps
1: alkali
2: chloroform; bromine
3: diluted alkaline solution
4: concentrated hydriodic acid
5: glacial acetic acid; chlorine
View Scheme
Multi-step reaction with 3 steps
1: alkali
2: chloroform; iodine
3: glacial acetic acid; chlorine
View Scheme
1,4-bis-(diiodo-methyl-λ4-sulfanyl)-benzene

1,4-bis-(diiodo-methyl-λ4-sulfanyl)-benzene

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid
dipotassium p-benzenedisulfonate
16056-13-6

dipotassium p-benzenedisulfonate

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride
p-benzenedisulfonate potassium

p-benzenedisulfonate potassium

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride
potassium salt of/the/ p-benzenedisulfonic acid

potassium salt of/the/ p-benzenedisulfonic acid

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride; phosphorus trichloride
sodium-salt of/the/ benzene-1,4-disulfonic acid

sodium-salt of/the/ benzene-1,4-disulfonic acid

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With chlorosulfonic acid
p-sulfobenzenediazonium chloride
6118-33-8

p-sulfobenzenediazonium chloride

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 60 percent / SO2 / CuCl / aq. HCl; acetic acid / 3 h / 45 °C
2: phosphorus pentachloride
View Scheme
1,4-Bis(methylthio)benzene
699-20-7

1,4-Bis(methylthio)benzene

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: nitric acid
2: concentrated hydriodic acid
3: glacial acetic acid; chlorine
View Scheme
Multi-step reaction with 4 steps
1: chloroform; bromine
2: diluted alkaline solution
3: concentrated hydriodic acid
4: glacial acetic acid; chlorine
View Scheme
Multi-step reaction with 2 steps
1: chloroform; iodine
2: glacial acetic acid; chlorine
View Scheme
1,4-bis(methylsulfinyl)benzene
90953-82-5, 150513-92-1

1,4-bis(methylsulfinyl)benzene

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: concentrated hydriodic acid
2: glacial acetic acid; chlorine
View Scheme
1,4-bis-(dibromo-methyl-λ4-sulfanyl)-benzene

1,4-bis-(dibromo-methyl-λ4-sulfanyl)-benzene

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diluted alkaline solution
2: concentrated hydriodic acid
3: glacial acetic acid; chlorine
View Scheme
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

2,4-difluoro-1-benzenesulfonamide
13656-60-5

2,4-difluoro-1-benzenesulfonamide

4-(N-((2,4-difluorophenyl)sulfonyl)sulfamoyl)benzenesulfonyl chloride

4-(N-((2,4-difluorophenyl)sulfonyl)sulfamoyl)benzenesulfonyl chloride

Conditions
ConditionsYield
With triethylamine In acetonitrile at 0℃;91%
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

C68H81N13O10*C2HF3O2

C68H81N13O10*C2HF3O2

C142H164N26O24S2

C142H164N26O24S2

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one for 45h; Substitution;81%
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

hexan-1-ol
111-27-3

hexan-1-ol

benzene-1,4-disulfonicacid-di-n-hexyl-ester
82965-01-3

benzene-1,4-disulfonicacid-di-n-hexyl-ester

Conditions
ConditionsYield
With sodium78%
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Ac-Glu(OtBu)-Tyr-Leu-Arg(Pmc)-NH2
192052-76-9

Ac-Glu(OtBu)-Tyr-Leu-Arg(Pmc)-NH2

A

C98H142N16O26S4

C98H142N16O26S4

B

Ac-Glu(OtBu)-Tyr[SO2C6H4(4-SO3H)]-Leu-Arg(Pmc)-NH2

Ac-Glu(OtBu)-Tyr[SO2C6H4(4-SO3H)]-Leu-Arg(Pmc)-NH2

Conditions
ConditionsYield
With Tris buffer In 1,4-dioxane for 24h; Ambient temperature;A 22%
B 53%
...Expand
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

C68H81N13O10*C2HF3O2

C68H81N13O10*C2HF3O2

4-{(3S,4S)-3,4-Bis-[((1R,2R)-2-{2-[4-(2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethoxy)-phenyl]-ethylcarbamoyl}-cyclohexanecarbonyl)-amino]-pyrrolidine-1-sulfonyl}-benzenesulfonic acid

4-{(3S,4S)-3,4-Bis-[((1R,2R)-2-{2-[4-(2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethoxy)-phenyl]-ethylcarbamoyl}-cyclohexanecarbonyl)-amino]-pyrrolidine-1-sulfonyl}-benzenesulfonic acid

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one for 45h; Substitution;38%
pyridine
110-86-1

pyridine

2-aminopyridine
504-29-0

2-aminopyridine

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

N,N'-di-[2]pyridyl-benzene-1,4-disulfonamide
71862-98-1

N,N'-di-[2]pyridyl-benzene-1,4-disulfonamide

Conditions
ConditionsYield
With benzene
...Expand
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

sodium methylate
124-41-4

sodium methylate

benzol-1,4-disulfonsaeure dimethylester
33301-74-5

benzol-1,4-disulfonsaeure dimethylester

Conditions
ConditionsYield
With benzene
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

dimethyl amine
124-40-3

dimethyl amine

tetra-N-methyl-benzene-1,4-disulfonamide
103393-65-3

tetra-N-methyl-benzene-1,4-disulfonamide

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

diethylamine
109-89-7

diethylamine

tetra-N-ethyl-benzene-1,4-disulfonamide
108620-77-5

tetra-N-ethyl-benzene-1,4-disulfonamide

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

Benzol-disulfonsaeure-(1,4)-diazid
53965-92-7

Benzol-disulfonsaeure-(1,4)-diazid

Conditions
ConditionsYield
With sodium azide
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

1,4-Benzoldisulfonylfluorid
35426-72-3

1,4-Benzoldisulfonylfluorid

Conditions
ConditionsYield
With ion-exchange resin - form> In acetonitrile
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

4-Chlorosulfonyl-benzenesulfonic acid
134187-88-5

4-Chlorosulfonyl-benzenesulfonic acid

Conditions
ConditionsYield
With sodium acetate; acetic acid at 25℃; Rate constant; k = 1.80E-3/sec;
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

cyclohexylamine
108-91-8

cyclohexylamine

1,4-Benzoldisulfonsaeure-dicyclohexylamid
53965-95-0

1,4-Benzoldisulfonsaeure-dicyclohexylamid

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

aniline
62-53-3

aniline

benzol-1,4-disulfonsaeuredianilid
53965-93-8

benzol-1,4-disulfonsaeuredianilid

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

methyl iodide
74-88-4

methyl iodide

1,4-Bis(methylthio)benzene
699-20-7

1,4-Bis(methylthio)benzene

Conditions
ConditionsYield
(i) phosphorus, (ii) /BRN= 969135/, NaOEt, EtOH; Multistep reaction;
hydrogenchloride
7647-01-0

hydrogenchloride

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

tin

tin

benzene-1,4-dithiol
624-39-5

benzene-1,4-dithiol

...Expand
ethanol
64-17-5

ethanol

benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

zinc

zinc

benzene-1,4-disulfinic acid
147139-87-5

benzene-1,4-disulfinic acid

...Expand
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

4-Sulfino-benzenesulfonic acid hexyl ester

4-Sulfino-benzenesulfonic acid hexyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 78 percent / 1.) sodium
2: 76 percent / tetrabutyl-ammonium bromid / acetonitrile / 18 - 20 °C / electroreduction
View Scheme
benzene-1,4-disulfonyl chloride
6461-77-4

benzene-1,4-disulfonyl chloride

C18H34N2O4P2S8
111297-07-5

C18H34N2O4P2S8

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaN3
View Scheme

1,4-Benzenedisulfonyldichloride Specification

The 1,4-Benzenedisulfonyldichloride, with the CAS registry number 6461-77-4, has the systematic name of benzene-1,4-disulfonyl dichloride. It is a kind of organcs, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C6H4Cl2O4S2.

The physical properties of 1,4-Benzenedisulfonyldichloride are as following: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 58; (6)ACD/BCF (pH 7.4): 58; (7)ACD/KOC (pH 5.5): 639; (8)ACD/KOC (pH 7.4): 639; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.04 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 54.049 cm3; (15)Molar Volume: 162.744 cm3; (16)Polarizability: 21.427×10-24cm3; (17)Surface Tension: 52.949 dyne/cm; (18)Density: 1.691 g/cm3; (19)Flash Point: 180.926 °C; (20)Enthalpy of Vaporization: 59.864 kJ/mol; (21)Boiling Point: 375.549 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1)S(Cl)(=O)=O
(2)InChI: O=S(Cl)(=O)c1ccc(cc1)S(Cl)(=O)=O
(3)InChIKey: O=S(Cl)(=O)c1ccc(cc1)S(Cl)(=O)=O

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