1-Brom-4-(1,1-dimethylethyl)benzol

1-Bromo-4-tert-butylbenzene

HCID 77595CAS 3972-65-4
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Grundinformationen

Standard-SMILES
CC(C)(C)c1ccc(Br)cc1
InChIKey
XHCAGOVGSDHHNP-UHFFFAOYSA-N
Summenformel
C10H13Br
Durchschnittliche Molmasse
213,11 g/mol
Monoisotopische Masse
212,02006

Namen und Bezeichner

Bevorzugter Name
1-Bromo-4-tert-butylbenzene
IUPAC
1-bromo-4-tert-butylbenzene
Lokaler Name
1-Brom-4-(1,1-dimethylethyl)benzol
Englischer Name
1-Bromo-4-tert-butylbenzene
Summenformel
C10H13Br
Molmasse
213.11

Namen und Synonyme

1-Bromo-4-tert-butylbenzene3972-65-41-Bromo-4-(1,1-dimethylethyl)benzeneDTXSID70192805RefChem:430539DTXCID70115296223-599-21-Bromo-4-(tert-butyl)benzene4-tert-Butylbromobenzene1-Bromo-4-Tert-ButYl-BenzeneMFCD00000108p-Bromo-tert-butylbenzene
Weitere Namen anzeigen
p-tert-Butylphenyl bromide1-tert-Butyl-4-BromobenzeneBUTYLBROMOBENZENE
4-Bromo-tert-butylbenzene1-Bromo-4-t-butylbenzene4-tert-Butyl-1-bromobenzeneBenzene, 1-bromo-4-(1,1-dimethylethyl)-p-Bromo-t-butylbenzene4-t-Butylbromobenzene4-Bromo-t-butylbenzenep-tert-Butylbromobenzene

Datenbank-Bezeichner

CAS
3972-65-4
PubChem CID
77595
DTXSID
DTXSID70192805
EC Number
223-599-2
Nikkaji
J217.803F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
1
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
13 · 13-16 °C(lit.)
Siedepunkt
80 · 80-81 °C2 mm Hg(lit.)
Dichte
1.229 g/mL · 1.229 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.533(lit.)
Flammpunkt
97 °C · 97 °C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): 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 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): 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 10 reports by companies from 6 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

Regulatory Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (10%)；Acute Tox. 4 (10%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10%)；STOT SE 3 (90%)

Regulatorische Informationen

Regulatory Information4-Bromo-t-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
hs_code
29036990
risk_code
36/37/38
hazard_code
Xi
safety_code
23-24/25-37/39-26
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]

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