tert-butyl N-(3-bromopropyl)carbamate

HCID 4460490CAS 83948-53-2
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Grundinformationen

Standard-SMILES
CC(C)(C)OC(=O)NCCCBr
InChIKey
IOKGWQZQCNXXLD-UHFFFAOYSA-N
Summenformel
C8H16BrNO2
Durchschnittliche Molmasse
238,12 g/mol
Monoisotopische Masse
237,03644

Namen und Bezeichner

Bevorzugter Name
tert-butyl N-(3-bromopropyl)carbamate
IUPAC
tert-butyl N-(3-bromopropyl)carbamate
Englischer Name
tert-Butyl 3-bromopropylcarbamate
Summenformel
C8H16BrNO2
Molmasse
238.12

Namen und Synonyme

tert-Butyl N-(3-bromopropyl)carbamateRefChem:895941629-016-183948-53-23-(Boc-amino)propyl bromidetert-Butyl 3-bromopropylcarbamate3-(Boc-Amino)propylbromidetert-Butyl (3-bromopropyl)carbamateMFCD02683429(3-bromo-propyl)-carbamic acid tert-butyl esterN-tert-butoxycarbonyl-3-bromopropylamineN-(3-Bromopropyl)carbamic Acid tert-Butyl Ester
Weitere Namen anzeigen
N-boc-3-aminopropyl bromideN-Boc 3-broMopropan-1-aMine3-(BOC-amino)propyl bromide,95%3-(Boc-amino)propyl bromide >=96.0% (GC)
N-BOC-3-BROMOPROPYLAMINE3-(tert-Butoxycarbonylamino)propyl Bromide(3-bromopropyl)-carbamic acid tert-butyl esterTert-butylN-(3-bromopropyl)carbamateN-Boc-BromopropylamineBoc-3-bromopropylamineCarbamic acid, (3-bromopropyl)-, 1,1-dimethylethyl ester3-Bromopropylcarbamic acid tert-butyl ester

Datenbank-Bezeichner

CAS
83948-53-2
PubChem CID
4460490
DTXSID
DTXSID40403511
EC Number
629-016-1
Nikkaji
J990.207D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
37 · 37-39 °C
Siedepunkt
285.3 · 285.3±23.0 °C(Predicted)
Dichte
1.279 · 1.279±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Slightly), Ethyl Acetate (Sparingly), Methanol (Slightly)
pka
12.48 · 12.48±0.46(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (87.5%): 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 (87.5%): 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 8 reports by companies from 7 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

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (87.5%)

Sicherheitsdaten

F
10-21
wgk
3
hs_code
29241990
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-24/25

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-(Boc-amino)propyl bromide can be used as an alkylating reagent for the synthesis of:Benzydamine analogs to be used as activators for soluble guanylate cyclase.N-substituted chromenotriazolopyrimidine, human murine double minute 2 (MDM2) inhibitor.Protected amines from piperidine derivatives to be further used for synthesis of sulfonamide series.It can also be used for the post-polymerization quaternization of polymers to synthesize functional cationic polymers and antimicrobial agents.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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