3-Chlorpropansulfonylchlorid

3-Chloropropanesulphonyl chloride

HCID 15410CAS 1633-82-5

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)CCCCl
InChIKey: GPKDGVXBXQTHRY-UHFFFAOYSA-N
Summenformel: C3H6Cl2O2S
Durchschnittliche Molmasse: 177,05 g/mol
Monoisotopische Masse: 175,946556

Namen und Bezeichner

Bevorzugter Name: 3-Chloropropanesulphonyl chloride
IUPAC: 3-chloropropane-1-sulfonyl chloride
Lokaler Name: 3-Chlorpropansulfonylchlorid
Englischer Name: 3-Chloropropanesulfonyl chloride
Summenformel: C3H6Cl2O2S
Molmasse: 177.05

Namen und Synonyme

3-Chloropropanesulfonyl chloride1633-82-51-Propanesulfonyl chloride, 3-chloro-3-Chloro-1-propanesulfonyl chloride3-Chloropropanesulphonyl chloride3-Chloropropylsulfonyl chloridePROPANESULFONYL CHLORIDE, CHLORO-gamma-Chloropropanesulfonyl chlorideEINECS 216-646-326KZB8ERS7NSC 93777TL 136

Weitere Namen anzeigen

tl136oropropanesuL3-Chloropropanesulfo3-Chloropropanesulfonylchloro-propanesulfonylchlorid3-chloropropylsulfonylchloridechloro-propanesulfonyl chlorideg-Chloropropanesulfonyl chloride

BRN 1754119NSC-93777DTXSID30167559RefChem:5005163chloropropanesulfonyl chloride3Chloropropanesulphonyl chloride3Chloro1propanesulfonyl chlorideDTXCID9090050

Datenbank-Bezeichner

CAS: 1633-82-5
PubChem CID: 15410
DTXSID: DTXSID30167559
UNII: 26KZB8ERS7
EC Number: 216-646-3
Nikkaji: J195.262E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 134

Experimentelle und physikochemische Eigenschaften

Physical DescriptionClear colorless to light yellow liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Siedepunkt: 70 °C/0.5 · 70 °C/0.5 mmHg (lit.)
Dichte: 1.456 g/mL · 1.456 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.489(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in dichloromethane, ethyl Acetate and hexane.
Aggregatzustand: Liquid
Farbe: Clear colorless to light brown
BRN: 1754119 · 1754119
InChI: InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2
InChIKey: GPKDGVXBXQTHRY-UHFFFAOYSA-N
SMILES: C(S(Cl)(=O)=O)CCCl
CAS Datenbank: 1633 · 1633-82-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (91.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 8 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 evolving toxic gas; Causes burns and lachrymation; Inhalation may cause corrosive injuries to respiratory tract; [Acros Organics MSDS] See 1-Butanesulfonyl chloride.

Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (91.4%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity DataLCLo (mouse) = 1,160 mg/m3/10min