Benzenesulfonyl chloride, 4-chloro-3-nitro- (HCID 7323)

Names & identifiers

Preferred name: Benzenesulfonyl chloride, 4-chloro-3-nitro-
IUPAC: 4-chloro-3-nitrobenzenesulfonyl chloride
English name: 4-Chloro-3-nitrobenzenesulfonyl chloride
Molecular formula: C6H3Cl2NO4S
Molecular weight: 256.06

Names & synonyms

97-08-54-CHLORO-3-NITROBENZENESULFONYL CHLORIDEBenzenesulfonyl chloride, 4-chloro-3-nitro-Yellow Sulfon Chloride3-Nitro-4-chlorobenzenesulfonyl chlorideEINECS 202-558-2DTXSID2059148SEWNAJIUKSTYOP-UHFFFAOYSA-2-Chloro-1-nitrobenzene-5-sulfonyl chlorideRefChem:118104DTXCID6049018InChI=1/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H

Show more names

Yel4-Chloro-3-nitrobenz3-Nitro-4-chlorobenzensulfonyl4-Chloro-3-nitrobenzenesulfonyl3-nitro-4-chlorosulfonyl chloride3-NITRO-4-CHLOROBENZENSULFONYL CHLORIDE4-chloro-3-nitro-benzenesulfonylchlorid

SEWNAJIUKSTYOP-UHFFFAOYSA-N4-Chloro-3-Nitrobenzene-1-Sulfonyl Chloride4-Chloro-3-nitrobenzenesulfonylchlorideMFCD000074404-Chloro-3-nitrobenzenesulphonyl chloride4-Chloro-3-nitro-benzenesulfonyl chloridechloro(4-chloro-3-nitrophenyl)sulfone4-Chloro-3-nitro benzene sulfonyl chloride

Database identifiers

CAS: 97-08-5
PubChem CID: 7323
DTXSID: DTXSID2059148
UNII: 9H74VBH6E8
EC Number: 202-558-2
Nikkaji: J28.768G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 320

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 59 · 59-60 °C (lit.)
Boiling point: 356 °C · 356°C (rough estimate)
Density: 1.696 · 1.696 (estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: Crystalline Powder
color: Light brown
Sensitive: Moisture Sensitive
BRN: 1978600 · 1978600
InChI: 1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
InChIKey: SEWNAJIUKSTYOP-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(ccc1Cl)S(Cl)(=O)=O
CAS DataBase Reference: 97 · 97-08-5(CAS DataBase Reference)
FDA UNII: 9 H74VBH6E8 · 9H74VBH6E8
NIST Chemistry Reference: 4 · Benzenesulfonyl chloride, 4-chloro-3-nitro-(97-08-5)
EPA Substance Registry System: 4 · Benzenesulfonyl chloride, 4-chloro-3-nitro- (97-08-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H318-H314
Precautionary statements: 280 · 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
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-29-14
Safety Statements: 26 · 26-27-28-36/37/39-45-8-30-22
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 22-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32333

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

Safety data

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: 34-29-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-28-36/37/39-45-8-30-22
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H290-H318-H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: 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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonyl chloride, 4-chloro-3-nitro-: ACTIVE

Applications · 2 items

Uses4-Chloro-3-nitrobenzenesulfonyl Chloride is used in the synthesis of novel sulfonamide derivatives of tricyclic thieno[2,3-d]pyrimidin-4(3H)-ones which increases melanin synthesis in murine B16 cells.

Uses4-Chloro-3-nitrobenzenesulfonyl chloride can be used: In the preparation of functionalized 1H-indenes via copper-catalyzed arylative cyclization.As a precursor in the synthesis of N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives that show potential nematicidal activity.As a key starting material in the synthesis of sulfonamide analogs of ferrostatin-1 (fer-1), which possess good ferroptosis inhibition property.In the synthesis of 4-chloro-3-nitrobenzene thiol.

Upstream & downstream products

Upstream raw materials

2-Nitrochlorobenzene Sulfuryl chloride 1,4-Benzenedisulfonic acid, 2-nitro-potassium 4-chloro-3-nitrobenzenesulphonate 4-Chloro-3-nitroaniline 4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT trichlorophosphate Chlorosulfonic acid 4-Chlorobenzenesulfonic acid 4-Chlorobenzenesulfonyl chloride

Downstream products

5-[[4-(aminosulphonyl)-2-nitrophenyl]amino]-2-[[4-[[4-(aminosulphonyl)-2-nitrophenyl]amino]phenyl]amino]benzenesulphonic acid 4-Chloro-3-nitrobenzenesulfonic acid Disperse Yellow Se-Fl 4-chloro-N-methyl-3-nitro-N-phenylbenzenesulphonamide 4-chloro-N-isopropyl-3-nitrobenzenesulphonamide 4-(4-CHLORO-3-NITRO-BENZENESULFONYL)-MORPHOLINE

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

Related reactions

129 records

New reaction record

HRID 47084As reactantuspto-grants-1979_11

HRID 50235As reactantuspto-grants-2004_03

HRID 57239As reactantuspto-grants-2016_09

HRID 72764As reactantuspto-grants-2014_09

HRID 111053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114033As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information