Toluol-2-sulfonylchlorid

o-Toluenesulfonyl chloride

HCID 8623CAS 133-59-5

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Grundinformationen

Standard-SMILES: Cc1ccccc1S(=O)(=O)Cl
InChIKey: HDECRAPHCDXMIJ-UHFFFAOYSA-N
Summenformel: C7H7ClO2S
Durchschnittliche Molmasse: 190,65 g/mol
Monoisotopische Masse: 189,9855283

Namen und Bezeichner

Bevorzugter Name: o-Toluenesulfonyl chloride
IUPAC: 2-methylbenzenesulfonyl chloride
Lokaler Name: Toluol-2-sulfonylchlorid
Englischer Name: O-TOLUENESULFONYL CHLORIDE
Summenformel: C7H7ClO2S
Molmasse: 190.65

Namen und Synonyme

o-Toluenesulfonyl chloride133-59-52-Methylbenzenesulfonyl chloride2-methylbenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 2-methyl-Toluene-2-sulphonyl chloride2-Toluenesulfonyl chlorideo-Tosyl chlorideO-TOLYLSULFONYL CHLORIDE2-Methylbenzenesulphonyl chloride2-methyl-benzenesulfonyl chlorideortho-Toluenesulfochloride

Weitere Namen anzeigen

o-Toluenesulfochlorideo-tosylchlorideParoxetine Impurity 30o-tolylsulfonylchloridecontainsca23%isomer)75+%

toluene-2-sulfonyl chlorideortho-Toluenesulfonyl chlorideMFCD000248742-methylphenylsulfonyl chlorideo-methylbenzenesulfonyl chloride341L82E3WGNSC-9354o-Toluenesulfonyl Chloride (contains ca. 23% isomer)

Datenbank-Bezeichner

CAS: 133-59-5、26763-71-3
PubChem CID: 8623
DTXSID: DTXSID7051682
UNII: 341L82E3WG
EC Number: 205-113-0、247-990-2
Nikkaji: J134.588E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 217

Experimentelle und physikochemische Eigenschaften

Density1.3383 AT 20 °C/4 °C

Color/FormOILY LIQUID

Solubility · 2 Einträge

INSOL IN WATER

SOL IN HOT ALCOHOL, BENZENE, ETHER

Boiling Point154 °C AT 36 MM HG

Melting Point10.2 °C

Refractive IndexSADTLER REF NUMBER: 10657 (IR, PRISM); INDEX OF REFRACTION: 1.5565 AT 20 °C/D

Physikochemische Eigenschaften

Schmelzpunkt: 10 °C · 10°C
Siedepunkt: 254 °C · 254 °C(lit.)
Dichte: 1.32 g/mL · 1.320 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D >1.5580(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Store under inert gas
Löslichkeit: Acetonitrile (Slightly), Chloroform(Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Soluble in hot alcohol, ether and benzene. Reacts with water.
BRN: 973180 · 973180
InChI: InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
InChIKey: HDECRAPHCDXMIJ-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1C
CAS Datenbank: 133 · 133-59-5(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzenesulfonyl chloride, 2-methyl- (133-59-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (76.9%): Causes serious eye damage [Danger Serious eye damage/eye 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 52 reports by companies from 7 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.

Gefahrenhinweise

Hazards SummaryReacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

Hazard Classes and CategoriesSkin Corr. 1C (100%)；Eye Dam. 1 (76.9%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.