3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chloride

HCID 2778695

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Grundinformationen

CAS: 175202-28-5
Standard-SMILES: CC(C)S(=O)(=O)c1csc(C(=O)Cl)c1Cl
InChIKey: IECIGDCEDBXRTI-UHFFFAOYSA-N
Summenformel: C8H8Cl2O3S2
Durchschnittliche Molmasse: 287,2 g/mol
Monoisotopische Masse: 285,9291918

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chloride
IUPAC: 3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl chloride
Englischer Name: 3-Chloro-4-(isopropylsulfonyl)thiophene-2-carbonyl chloride
Summenformel: C8H8Cl2O3S2
Molmasse: 287.18

Namen und Synonyme

3-chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chlorideRefChem:499927692-304-0175202-28-53-Chloro-4-(Isopropylsulfonyl)Thiophene-2-Carbonyl Chloride3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl chlorideMFCD00084960C8H8Cl2O3S23-Chloro-4-(isopropylsulfonyl)thiophene-2-carbonylchloride3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl chloride2-Thiophenecarbonyl chloride, 3-chloro-4-[(1-methylethyl)sulfonyl]-IECIGDCEDBXRTI-UHFFFAOYSA-N

Weitere Namen anzeigen

3-chloro-4-propan-2-ylsulfonyl-2-thiophenecarbonyl chloride3-chloro-4-(isopropylsulphonyl)thiophene-2-carbonyl chloride

SCHEMBL3065143DTXSID00381083AKOS015910716AS-5954DB-044083F3175303-chloro-4-(isopropylsulfonyl)-2-thiophenecarbonyl chloride3-chloro-4-isopropylsulfonyl-thiophene-2-carbonyl chloride

Datenbank-Bezeichner

CAS: 175202-28-5
PubChem CID: 2778695
DTXSID: DTXSID00381083
EC Number: 692-304-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 87,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 347

Physikochemische Eigenschaften

Schmelzpunkt: 170 °C · 170 °C
Siedepunkt: 444.9 · 444.9±45.0 °C(Predicted)
Dichte: 1.492 · 1.492±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.