Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-

HCID 141400CAS 28162-11-0

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Grundinformationen

Standard-SMILES: CCC(C)(C)c1ccc(CCl)cc1
InChIKey: GZSVKIJGGVPFGX-UHFFFAOYSA-N
Summenformel: C12H17Cl
Durchschnittliche Molmasse: 196,71 g/mol
Monoisotopische Masse: 196,1018782

Namen und Bezeichner

Bevorzugter Name: Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
IUPAC: 1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene
Englischer Name: alpha-Chloro-4-(tert-pentyl)toluene
Summenformel: C12H17Cl
Molmasse: 196.72

Namen und Synonyme

28162-11-0Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-DTXSID50182426RefChem:898571DTXCID60104917alpha-Chloro-4-(tert-pentyl)toluene1-(Chloromethyl)-4-(tert-pentyl)benzene1-(chloromethyl)-4-(2-methylbutan-2-yl)benzeneMFCD000188844-tert-pentylbenzyl chlorideSCHEMBL6299448GZSVKIJGGVPFGX-UHFFFAOYSA-N

Weitere Namen anzeigen

P-T-AMYL CHLOROBENZYL-Chloro-4-(tert-pentyl)tolueneα-chloro-4-(tert-pentyl)toluene1-tert-amyl-4-(chloromethyl)benzenealpha-Chloro-4-(tert-pentyl)toluene 95%Benzene, 1-(chloromethyl)-4-(1,1-dimethylpropyl)-

alpha-chloro-4-(tert-pentyl)-tolueneAKOS006283792AS-93332DB-022450EN300-207803F721891-(chloromethyl)-4-(1,1-dimethylpropyl)benzeneF868714

Datenbank-Bezeichner

CAS: 28162-11-0
PubChem CID: 141400
DTXSID: DTXSID50182426
EC Number: 631-120-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Siedepunkt: 259.1 · 259.1±9.0 °C(Predicted)
Dichte: 0.982 · 0.982±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.