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6461-77-4

Basic Information
CAS No.: 6461-77-4
Name: 1,4-Benzenedisulfonyl dichloride
Article Data: 5
Molecular Structure:
Molecular Structure of 6461-77-4 (1,4-Benzenedisulfonyl dichloride)
Formula: C6H4Cl2O4S2
Molecular Weight: 275.133
Synonyms: p-Benzenedisulfonylchloride (6CI,7CI,8CI);1,4-Benzenedisulfonyl chloride;p-Bis(chlorosulfonyl)benzene;benzene-1,4-disulfonyl dichloride;
Density: 1.691 g/cm3
Melting Point: 138 °C
Boiling Point: 375.549 °C at 760 mmHg
Flash Point: 180.926 °C
PSA: 85.04000
LogP: 3.70320
Synthetic route
624-39-5

benzene-1,4-dithiol

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

6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid
16056-13-6

dipotassium p-benzenedisulfonate

6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride
p-benzenedisulfonate potassium

p-benzenedisulfonate potassium

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

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

6461-77-4

benzene-1,4-disulfonyl chloride

Conditions
ConditionsYield
With chlorosulfonic acid
6118-33-8

p-sulfobenzenediazonium 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
699-20-7

1,4-Bis(methylthio)benzene

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
90953-82-5, 150513-92-1

1,4-bis(methylsulfinyl)benzene

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

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
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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