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Sigma-Aldrich

S-(11-Bromoundecyl) thioacetate

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Synonym(s):
Thioacetic acid S-(11-bromoundecyl) ester
Empirical Formula (Hill Notation):
C13H25BrOS
CAS Number:
947150-46-1
Molecular Weight:
309.31
MDL number:
MFCD12546052
UNSPSC Code:
12352300
PubChem Substance ID:
329762678
NACRES:
NA.23

form

liquid

Quality Level

100

refractive index

n20/D 1.496

density

0.500 g/mL at 25 °C

SMILES string

CC(=O)SCCCCCCCCCCCBr

InChI

1S/C13H25BrOS/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-12H2,1H3

InChI key

JEDBIVNXPYJQIU-UHFFFAOYSA-N

Related Categories

Pictograms

CorrosionEnvironment
GHS05,GHS09

Signal Word

Danger

Hazard Statements

H318,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1

WGK

WGK 3

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Protocols

Thioacetate Deprotection Procedure

Hydrolyzing agents deprotect protected thiol derivatives, obtaining unstable free thiols during complex compound synthesis for self-assembled monolayers.

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