Basic information
- CAS
35506-85-5- Standard SMILES
O=S(OCc1ccccc1)OCc1ccccc1- InChIKey
LLVIFIUGSRBJJD-UHFFFAOYSA-N- Molecular formula
- C14H14O3S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.06636531
Names & identifiers
- Preferred name
- Sulfurous acid, dibenzyl ester
- IUPAC
- dibenzyl sulfite
- English name
- Sulfurous acid bis(phenylmethyl) ester
- Molecular formula
- C14H14O3S
- Molecular weight
- 262.32
Names & synonyms
dibenzyl sulfiteSulfurous acid, dibenzyl esterBenzyl sulfite35506-85-5Sulfurous acid, bis(phenylmethyl) esterL6QE935XNWNSC-221173NSC 221173BRN 2282617DibenzylsulfitUNII-L6QE935XNWWLN: R1OSO&O1R
Show more names
Sulfurous acid bis(phenylmethyl) ester
SCHEMBL776935BIS(PHENYLMETHYL) SULFITEDTXSID50189011NSC221173
Database identifiers
- CAS
35506-85-5- PubChem CID
- 99368
- DTXSID
DTXSID50189011- UNII
- L6QE935XNW
- Nikkaji
- J48.690F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 375.57 °C · 375.57°C (rough estimate)
- Density
- 1.2647 · 1.2647 (rough estimate)
- refractive index
- 1.505 · 1.5050 (estimate)
- form
- Liquid
- FDA UNII
- 6 QE935XNW · L6QE935XNW
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 178 mg/kg CSLNX* NX#02156
Safety & regulation
Safety data
- Toxicity
- LD50 ivn-mus: 178 mg/kg CSLNX* NX#02156
Chemistry & industry
Suppliers2 total
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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