CAS 585-47-7 1,3-Benzenedisulfonyl dichloride (HCID 96240)

Names & identifiers

Preferred name: 1,3-Benzenedisulfonyl dichloride
IUPAC: benzene-1,3-disulfonyl chloride
English name: 1,3-Benzenedisulfonyl Chloride
Molecular formula: C6H4Cl2O4S2
Molecular weight: 275.13

Names & synonyms

585-47-71,3-Benzenedisulfonyl chloride1,3-Benzenedisulfonyl dichloridem-Benzenedisulfonyl chloridem-Benzenedisulfonyl dichloridem-Phenylenedisulfonyl chloride3-Chlorosulfonylbenzenesulfonyl chlorideBenzene-1,3-di(sulphonyl chloride)29M4XRF3V2EINECS 209-556-0NSC 61429NSC-61429

Show more names

BENZENE-1,3-DISULFONYL CHLORIDEBENZENE-1,3-DISULFONYL DICHLORIDE3-Benzenedisulfonyl dichloride1,3-Benzenebis(sulfonyl chloride)benzene-1,3-disulphonyl dichloride

1,3-bis(chlorosulfonyl)benzene1,3-benzenedisulphonyl chlorideDTXSID3060407benzene-1,3-di(sulfonyl chloride)1,3-BIS(CHLOROSULPHONYL)BENZENE1,3-BENZENEDISULPHONYL DICHLORIDERefChem:413824DTXCID5042401

Database identifiers

CAS: 585-47-7
PubChem CID: 96240
DTXSID: DTXSID3060407
UNII: 29M4XRF3V2
EC Number: 209-556-0
Nikkaji: J62.915D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 85 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 351

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 57 · 57-60 °C(lit.)
Boiling point: 145 °C · 145 °C / 1mmHg
Density: 1.6494 · 1.6494 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Dichloromethane, DMSO
form: solid
color: Off-White to Light Brown
Water Solubility: Soluble in DMSO and methanol. Reacts with water.
Sensitive: Moisture Sensitive
BRN: 1118508 · 1118508
InChI: InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChIKey: ALIQZUMMPOYCIS-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC(S(Cl)(=O)=O)=C1
CAS DataBase Reference: 585 · 585-47-7(CAS DataBase Reference)
FDA UNII: 29 M4XRF3V2 · 29M4XRF3V2
EPA Substance Registry System: 1 · 1,3-Benzenedisulfonyl dichloride (585-47-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 8 · GHS08,GHS05
Signal word: Danger
Hazard statements: 290 · H290-H318-H314-H317-H334
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P501a-P261-P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501 · P260h-P301+P330+P331-P303+P361+P353-P501a-P261-P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-37-42/43
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-21
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (99.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (99.3%)

Safety data

F: 3-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34-37-42/43
Signal word: Danger
Symbol(GHS): GHS08,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H290-H318-H314-H317-H334
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P501a-P261-P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Benzenedisulfonyl dichloride: ACTIVE

Applications · 2 items

Uses1,3-Benzenedisulfonyl chloride is used as a pharmaceutical intermediates. The compound is used to produce1,3-benzenedisulfonohydrazide.

General DescriptionBenzene-1,3-disulfonyl chloride (BDD) or 1,3-benzenedisulfonyl chloride is dichloride of 1,3-benzenedisulfonic acid. It is a colorless (white) crystalline solid with a melting point of 59-62 °C. It is soluble in common organic solvents. Compounds are sensitive to moisture and react in water; therefore, they should be stored in dry conditions. It has corrosive properties and can cause severe skin burns and eye damage.