1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene

HCID 2761083

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Grundinformationen

CAS: 180200-86-6
Standard-SMILES: CS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIKey: FQVJALWTFNYNBL-UHFFFAOYSA-N
Summenformel: C8H8BrClO2S
Durchschnittliche Molmasse: 283,57 g/mol
Monoisotopische Masse: 281,91169

Namen und Bezeichner

Bevorzugter Name: 1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene
IUPAC: 1-(bromomethyl)-2-chloro-4-methylsulfonylbenzene
Englischer Name: 4-CHLORO-N-CYCLOPROPYL-N-PIPERIDIN-4-YLBENZENESULFONAMIDE
Summenformel: C8H8BrClO2S
Molmasse: 283.57

Namen und Synonyme

180200-86-61-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzeneDTXSID90375532RefChem:226186DTXCID50326560674-403-0MFCD040379591-(bromomethyl)-2-chloro-4-methylsulfonylbenzene2-chloro-4-(methylsulphonyl)benzyl bromideBenzene, 1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-1-(bromomethyl)-2-chloro-4-methanesulfonylbenzeneBenzene,1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-

Weitere Namen anzeigen

2-Chloro-4-(methylsulphonyl)benzyl bromide 95+%1-Bromomethyl-2-chloro-4-methanesulfonyl-benzene1-(Bromomethyl)-2-chloro-4-(methylsulphonyl)benzene, 4-(Bromomethyl)-3-chlorophenyl methyl sulphone

SCHEMBL399056FQVJALWTFNYNBL-UHFFFAOYSA-NSBB070939AKOS015836014PS-99362-chloro-4-methylsulfonylbenzyl bromide2-Chloro-4-(methylsulfonyl)benzyl bromideDB-024651

Datenbank-Bezeichner

CAS: 180200-86-6
PubChem CID: 2761083
DTXSID: DTXSID90375532
EC Number: 674-403-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 260

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-105
Siedepunkt: 408.8 · 408.8±45.0 °C(Predicted)
Dichte: 1.642 · 1.642±0.06 g/cm3(Predicted)
Aggregatzustand: solid
Farbe: Uniform white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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)

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.