Benzyl benzodithioate - CAS 27249-90-7
Catalog: |
BB054189 |
Product Name: |
Benzyl benzodithioate |
CAS: |
27249-90-7 |
Synonyms: |
Benzyl dithiobenzoate; Benzenecarbodithioic acid, phenylmethyl ester; Dithiobenzoic acid benzyl ester; S-Benzyl dithiobenzoate; BDTB; Benzyl phenyl RAFT agent |
IUPAC Name: | benzyl benzenecarbodithioate |
Description: | RAFT agent for controlled radical polymerization; Chain Transfer Agent (CTA) well-suited for methacrylates, methacrylamides, and styrenes. |
Molecular Weight: | 244.38 |
Molecular Formula: | C14H12S2 |
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 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (97.44%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (97.44%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273: Avoid release to the environment. P501: Dispose of contents/container in accordance with local/regional/national/international regulations. |
Signal Word: | Warning |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.03804273 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.03804273 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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