Benzyl benzodithioate
Product Information
Molecular Formula
C14H12S2
Molecular Weight
244.38
Description
RAFT agent for controlled radical polymerization; Chain Transfer Agent (CTA) well-suited for methacrylates, methacrylamides, and styrenes.
Synonyms
Benzyl dithiobenzoate; Benzenecarbodithioic acid, phenylmethyl ester; Dithiobenzoic acid benzyl ester; S-Benzyl dithiobenzoate; BDTB; Benzyl phenyl RAFT agent
IUPAC Name
benzyl benzenecarbodithioate
SMILES
C1=CC=C(C=C1)CSC(=S)C2=CC=CC=C2
InChI
InChI=1S/C14H12S2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChI Key
ZCKPFAYILJKXAT-UHFFFAOYSA-N
Boiling Point
372.9±35.0°C at 760 mmHg
Melting Point
55°C
Flash Point
>230 °F
Purity
95%
Density
1.201±0.1 g/cm3
Appearance
Orange to Brown to Dark red clear liquid
Storage
Store at 2-8°C
Refractive Index
n20/D 1.696
Safety Information
Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Signal Word
Warning
Computed Properties
XLogP3
4.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
244.03804273 g/mol
Monoisotopic Mass
244.03804273 g/mol
Topological Polar Surface Area
57.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
213
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114106519-A | Modified epoxy resin matrix material for wide temperature range and preparation method and application thereof | 2021-12-09 |
| CN-113736038-A | Preparation method of photoresponse self-repairing fluorine-containing polyacrylate soap-free emulsion | 2021-10-15 |
| CN-113121767-A | Temperature response damping soft joint for 220kv high-voltage cable | 2021-05-18 |
| CN-113121766-A | Preparation of stimulation-response polymer matrix D-amino acid oxidase reactor and enzymolysis efficiency regulation and control method thereof | 2021-04-23 |
| CN-113121766-B | Preparation of stimulation-response polymer matrix D-amino acid oxidase reactor and enzymolysis efficiency regulation and control method thereof | 2021-04-23 |
| CN-113173732-A | Anti-segregation agent for concrete and preparation method and application thereof | 2021-03-16 |
| CN-113082292-A | Biological valve material modified by zwitterionic polymer and preparation method thereof | 2021-03-02 |
| CN-113101412-A | Long-acting stable anticoagulation biological valve material and preparation method thereof | 2021-03-02 |
| CN-112625253-A | Surface polymer brush modified hydrogel material, preparation method and application | 2020-11-30 |
| JP-2022039817-A | Photoresponsive polymers, photoresponsive adhesives, toners, and image forming methods | 2020-08-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 15367999 | 2004-09-21 | Synthesis of hybrid dendrimer-star polymers by the RAFT process | Chemical communications (Cambridge, England) |
| 11346811 | 2001-05-10 | Spontaneous intracerebral hemorrhage | The New England journal of medicine |
| 5789 | 1976-04-01 | Hyperoxia and red cell 2,3-diphosphoglycerate | Toxicology and applied pharmacology |
| 1775 | 1975-11-18 | Freezing and freeze-drying | Proceedings of the Royal Society of London. Series B, Biological sciences |
