4-Methoxy-2-nitrobenzenesulphonyl chloride

HCID 87452

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Basic information

CAS: 18092-54-1
Standard SMILES: COc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey: OGHAPVZVXLHURO-UHFFFAOYSA-N
Molecular formula: C7H6ClNO5S
Average molar mass: 251.64 g/mol
Monoisotopic mass: 250.9655212

Names & identifiers

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

Names & synonyms

4-Methoxy-2-nitrobenzenesulfonyl Chloride18092-54-14-Methoxy-2-nitrobenzenesulphonyl chlorideEINECS 241-996-9DTXSID70171039RefChem:524552DTXCID2093530241-996-94-methoxy-2-nitrobenzene-1-sulfonyl chlorideMFCD00143333Benzenesulfonyl chloride, 4-methoxy-2-nitro-4-methoxy-2-nitro-benzenesulfonyl chloride

Show more names

methoxynitrobenzenesulfonylchloride4-Methoxy-2-nitrobenzenesulfonylChloride>Benzenesulfonyl chloride, 4-methoxy-2-nitro-5-iodo-4-methoxy-1-(2-oxolanyl)-2-pyrimidinone4-METHOXY-2-NITROBENZENESULFONYL CHLORIDE, 93+%

GS-43094-Methoxy-2-nitrobenzenesulfonylchlorideAM20060854FT-0637648SCHEMBL540736SBB055012AKOS001359232chloro(4-methoxy-2-nitrophenyl)sulfone

Database identifiers

CAS: 18092-54-1
PubChem CID: 87452
DTXSID: DTXSID70171039
EC Number: 241-996-9
Nikkaji: J256.613C

Properties

Computed structural properties

XLogP: 1.8
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: 78 °C · 78°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
color: Light orange to Yellow to Green
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H317
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
HS Code: 2909.3 · 2909.30.6000
HazardClass: 8 · 8
PackingGroup: III
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

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesMet. Corr. 1 (33.3%)；Skin Corr. 1B (100%)；Skin Sens. 1 (33.3%)；Eye Dam. 1 (66.7%)；STOT SE 3 (33.3%)

Safety data

ridadr: 3261
hs_code: 2909.30.6000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314-H317
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P310