(3-Bromopropoxy)(tert-butyl)dimethylsilane (HCID 607486)

Names & identifiers

Preferred name: (3-Bromopropoxy)(tert-butyl)dimethylsilane
IUPAC: 3-bromopropoxy-tert-butyl-dimethylsilane
English name: (3-BROMOPROPOXY)-TERT-BUTYLDIMETHYLSILANE
Molecular formula: C9H21BrOSi
Molecular weight: 253.25

Names & synonyms

(3-Bromopropoxy)(tert-butyl)dimethylsilaneRefChem:400017687-108-7(3-Bromopropoxy)-tert-butyldimethylsilane89031-84-5MFCD002165893-bromopropoxy-tert-butyl-dimethylsilaneC9H21BrOSi3-bromopropoxy-t-butyldimethylsilane3-bromopropoxy-tert-butyl-dimethyl-silaneDTXSID703458393-(t-butyldimethylsiloxy)propyl bromide

Show more names

cyclohex-1-ene-1-carbaldehydeDK422DK947DKFELEX0253(3-Bromopropoxy)-tert-butyL3-BroMoethoxy-tert-butyl diMethylsilane(3-BroMopropoxy)-t-buyl-1-diMethylsilane1-Bromo-3-(tert-butyldimethylsiloxy)propane

1-bromo-3-(t-butyldimethylsiloxy)propane1-bromo-3-(t-butyldimethylsilyloxy) propaneB5346Propane, 1-bromo-3-(t-butyldimethylsilyloxy)-(3-Bromopropoxy)(1,1-dimethylethyl)dimethylsilane;t-butyl(FT-06501811-Bromo-3-(tert-butyldimethylsilyloxy)propane

Database identifiers

CAS: 89031-84-5
PubChem CID: 607486
DTXSID: DTXSID70345839
EC Number: 687-108-7
Nikkaji: J1.348.715D

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 129

Physicochemical properties

Boiling point: 182 °C · 182 °C(lit.)
Density: 1.093 g/mL · 1.093 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 185 °F · 185 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly)
form: Oil
color: Colourless
InChI: 1S/C9H21BrOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
InChIKey: QGMROEZDWJTIDW-UHFFFAOYSA-N
SMILES: CC(C)(C)[Si](C)(C)OCCCBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
TSCA: No
HS Code: 29319090 · 29319090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 4 items

UsesThe propanol functionality of this versatile reagent can be introduced to many pharmaceuticals.1,2,3,4

Uses(3-Bromopropoxy)-tert-butyldimethylsilane may be used to introduce propanol functionality to many pharmaceuticals.It may be used as an alkylating agent in the synthesis of the following:N-[2-[N-[3-(tert-butyldimethylsilyloxy)propyl]-N-ethylamino]ethyl]phthalimideO-(3-tert-butyldimethylsilyloxypropyl)-N-(tert-butoxycarbonyl)-L-tyrosine methyl estertert-butyldimethyl-[3-(3-methyl-2-nitrophenoxy)propoxy]silane

Uses(3-Bromopropoxy)-tert-butyldimethylsilane is a reagent in the preparation of piperidinylcarbonyl sulfamates as a novel class of antihyperlipidemic agents with LDL-receptor up-regulation via the adaptor protein autosomal recessive hypercholesterolemia.

General Description(3-Bromopropoxy)-tert-butyldimethylsilane is a bromo silyl ether.