CAS 16712-69-9 4-Ethylbenzene-1-sulfonyl chloride (HCID 570959)

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Basic information

CAS: 16712-69-9
Standard SMILES: CCc1ccc(S(=O)(=O)Cl)cc1
InChIKey: LACFLXDRFOQEFZ-UHFFFAOYSA-N
Molecular formula: C8H9ClO2S
Average molar mass: 204.67 g/mol
Monoisotopic mass: 204.00117821

Names & identifiers

Preferred name: 4-Ethylbenzene-1-sulfonyl chloride
IUPAC: 4-ethylbenzenesulfonyl chloride
English name: 4-Ethylbenzene-1-sulfonyl chloride
Molecular formula: C8H9ClO2S
Molecular weight: 204.68

Names & synonyms

4-ethylbenzene-1-sulfonyl chlorideRefChem:522847679-050-616712-69-94-Ethylbenzenesulfonyl chloride4-Ethylbenzenesulphonyl chloride4-Ethyl-benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-ethyl-MFCD00041480P-ETHYLBENZENESULFONYL CHLORIDEchloro(4-ethylphenyl)sulfone4-ethylphenylsulfonyl chloride

Show more names

4-Ethylbenzenesulfonylethylbenzenesulfonylchloride4-EthylbenzenesulfonylChloride>Benzenesulfonyl chloride, 4-ethyl-4-Ethylbenzenesulfonic acid chloride4-Ethylbenzene-1-sulfonyl chloride ISO 9001：2015 REACH

SCHEMBL344067SCHEMBL47767644-ethyl benzenesulfonyl chloride4-ethylben-zenesulfonyl chloride4-ethylbenzene-1-sulfonylchlorideDTXSID10341198ALBB-000976BBL013799

Database identifiers

CAS: 16712-69-9
PubChem CID: 570959
DTXSID: DTXSID10341198
EC Number: 679-050-6
Nikkaji: J28.759H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 8 · 8-12°C
Boiling point: 134 °C · 134 °C
Density: 1.268 · 1.268
refractive index: 1.544 · 1.544
Flash point: 134 · 134-136°C/7mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.27 · 1.27
Water Solubility: Reacts with water. Soluble in ethanol, acetone and toluene.
Sensitive: Moisture Sensitive
BRN: 2090130 · 2090130
CAS DataBase Reference: 16712 · 16712-69-9(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318-H290-H314

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]

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

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (14.3%)

Safety data

ridadr: 3265
hs_code: 2904990090
risk_code: 29-34-36/37/38-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi,Xn
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36
hazard_class: 8
packing_group: II
Hazard statements: H318-H290-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P234-P260-P264-P280-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-P305+P351+P338-P501a

Chemistry & industry

Applications

Uses4-Ethylbenzenesulfonyl chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.