3-(Chlorosulfonyl)-4-(propan-2-yl)benzoic acid

HCID 309510CAS 59815-29-1

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Grundinformationen

Standard-SMILES: CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Cl
InChIKey: KSRCCOHUNHPILB-UHFFFAOYSA-N
Summenformel: C10H11ClO4S
Durchschnittliche Molmasse: 262,71 g/mol
Monoisotopische Masse: 262,0066577

Namen und Bezeichner

Bevorzugter Name: 3-(Chlorosulfonyl)-4-(propan-2-yl)benzoic acid
IUPAC: 3-chlorosulfonyl-4-propan-2-ylbenzoic acid
Englischer Name: 3-Chlorosulfonyl-4-isopropylbenzoicacid
Summenformel: C10H11ClO4S
Molmasse: 262.71

Namen und Synonyme

3-(chlorosulfonyl)-4-(propan-2-yl)benzoic acidRefChem:494707672-351-359815-29-13-Chlorosulfonyl-4-isopropyl-benzoic acid3-(chlorosulfonyl)-4-isopropylbenzoic acid3-chlorosulfonyl-4-propan-2-ylbenzoic acid3-Chlorosulfonyl-4-isopropylbenzoicacidMFCD034263823-Chlorosulfonyl-4-isopropyl-benzoicacidNSC211802SCHEMBL3971731

Weitere Namen anzeigen

(3-Chlorosulfonyl-4-isopropylbenzoicacid0Benzoic acid, 3-(chlorosulfonyl)-4-(1-methylethyl)-

SCHEMBL31587739DTXSID50309333KSRCCOHUNHPILB-UHFFFAOYSA-NAKOS000127896NSC-2118023-Chlorosulfonyl-4iso-propylbenzoic acid3-(chlorosulfonyl)-4-isopropylbenzoicacid3-Chlorosulfonyl-4-iso-propylbenzoic acid

Datenbank-Bezeichner

CAS: 59815-29-1
PubChem CID: 309510
DTXSID: DTXSID50309333
EC Number: 672-351-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 79,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 358

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.