CAS 21320-91-2 2-Methoxy-4-nitrobenzenesulfonyl chloride (HCID 309458)

Names & identifiers

Preferred name: 2-Methoxy-4-nitrobenzenesulfonyl chloride
IUPAC: 2-methoxy-4-nitrobenzenesulfonyl chloride
English name: 2-Methoxy-4-nitrobenzenesulfonyl chloride
Molecular formula: C7H6ClNO5S
Molecular weight: 251.64

Names & synonyms

2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-22-Methoxy-4-nitrobenzene-1-sulfonyl chlorideDTXSID10309319RefChem:474405DTXCID00260445627-635-1MFCD03094697Benzenesulfonyl chloride, 2-methoxy-4-nitro-2-methoxy-4-nitrobenzenesulphonyl chlorideAKOS005206969NSC 211731

Show more names

2-Methoxy-4-nitroben2-Methoxy-4-nitrobenzensul2-Methoxy-4-nitrobenzenesulfonylChloride>2-methoxy-4-nitrobenzene-1-sulfonyl chloride2-Methoxy-4-nitrobenzenesulfonyl chloride 96%2-Methoxy-4-nitrobenzenesulfonyl chloride,92%

2-methoxy-4 nitrobenzenesulfonyl chloride2-methoxy-4-nitro-benzenesulfonyl chlorideCS-00201122-methoxy-4-nitrobenzenesulfonylchlorideNSC2117312-Methoxy-4-nitrobenzensulfonyl chloride2-Methoxy-4-nitrobenzene-1-sulfonylchlorideSCHEMBL282513

Database identifiers

CAS: 21320-91-2
PubChem CID: 309458
DTXSID: DTXSID10309319
EC Number: 627-635-1

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 97.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 332

Physicochemical properties

Melting point: 90 · 90-95 °C (lit.)
Boiling point: 406.6 · 406.6±35.0 °C(Predicted)
Density: 1.553 · 1.553±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Toluene
form: powder to crystal
color: White to Light yellow
Sensitive: Moisture Sensitive
BRN: 2136023 · 2136023
InChI: 1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3
InChIKey: QECYXMKYZQXEHM-UHFFFAOYSA-N
SMILES: COc1cc(ccc1S(Cl)(=O)=O)[N+]([O-])=O
CAS DataBase Reference: 21320 · 21320-91-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-29-14
Safety Statements: 26 · 26-36/37/39-45-8
RIDADR: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: IRRITANT, MOISTURE SENSITIVE
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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 · 5 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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29049090
risk_code: 34-29-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-45-8
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses2-Methoxy-4-nitrobenzenesulfonyl chloride [4-(chlorosulphonyl)-3-methoxynitrobenzene] may be used to synthesize 2-methoxy-4-nitro-N-o-tolyl-benzenesulfonamide.

General Description2-Methoxy-4-nitrobenzenesulfonyl chloride [4-(chlorosulphonyl)-3-methoxynitrobenzene] may be used to synthesize 2-methoxy-4-nitro-N-o-tolyl-benzenesulfonamide.