Benzyl benzodithioate

Inquiry

Molecular Formula:

C14H12S2

Molecular Weight:

244.38

CAS Number:

27249-90-7

Catalog Number:

27249-90-7

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

Canonical 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.

Precautionary Statement

P273:
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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

244.03804273 g/mol

Monoisotopic Mass

244.03804273 g/mol

Topological Polar Surface Area

57.4Å²

Heavy Atom Count

Formal Charge

Complexity

213

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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