(1,1'-Biphenyl)-4-sulphonyl chloride

HCID 74192CAS 1623-93-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1
InChIKey
ALBQXDHCMLLQMB-UHFFFAOYSA-N
Molecular formula
C12H9ClO2S
Average molar mass
252.72 g/mol
Monoisotopic mass
252.00117821

Names & identifiers

Preferred name
(1,1'-Biphenyl)-4-sulphonyl chloride
IUPAC
4-phenylbenzenesulfonyl chloride
English name
4-BIPHENYLSULFONYL CHLORIDE
Molecular formula
C12H9ClO2S
Molecular weight
252.72

Names & synonyms

1623-93-4[1,1'-Biphenyl]-4-sulfonyl chloride(1,1'-Biphenyl)-4-sulphonyl chlorideEINECS 216-609-1DTXSID30167352(1,1'-Biphenyl)-4-sulfonyl chloride[1,1'-biphenyl]-4-sulphonyl chlorideRefChem:391133DTXCID1089843216-609-14-Biphenylsulfonyl ChlorideBiphenyl-4-sulfonyl chloride
Show more names
SALOR-INT L301086-1EADiphenyl sulfonyl chloridep-Biphenylsulfonyl chloride4-BIPHENYLSULPHONYL CHLORIDE(4-Biphenylyl)sulfonyl chloride4-Biphenylsulfonyl Chloride >
4-Phenylbenzenesulfonyl chlorideC12H9ClO2S4-(Chlorosulfonyl)biphenyl[1,1'-biphenyl]-4-sulfonylchlorideMFCD00078658biphenyl-4-sulfonylchlorideBiphenyl-4-sulphonyl chloride1,1'-biphenyl-4-sulfonyl chloride

Database identifiers

CAS
1623-93-4
PubChem CID
74192
DTXSID
DTXSID30167352
UNII
A89GAW486V
EC Number
216-609-1
Nikkaji
J195.251J

Properties

Computed structural properties

XLogP
4
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
103 · 103-108 °C(lit.)
Boiling point
200 · 200-205°C 6mm
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
Flash point
200 · 200-205°C/6mm
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
50 mg/mL · DMSO: 50 mg/mL (197.85 mM);;

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F
10-21
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29049090
risk_code
14-34

Chemistry & industry

Applications · 2 items

UsesReactant for:• ;Preparation of anilinopyrimidinesulfonamides as potential anticancer agents1• ;Synthesis of inhibitors of the hypoxia inducible factor pathway2• ;Preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors3• ;Palladium-catalyzed desulfitative C-arylation4

UsesIt is a reactant for preparation of anilinopyrimidinesulfonamides as potential anticancer agents, synthesis of inhibitors of the hypoxia inducible factor pathway. It participates in the preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors and is also involved in palladium-catalyzed desulfitative C-arylation.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

186 records
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Linked notes

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