1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

HCID 88280

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Basic information

CAS: 19851-61-7
Standard SMILES: O=C(OCc1ccccc1)c1ccc(C(=O)OCc2ccccc2)cc1
InChIKey: IWGFEQWCMAADJZ-UHFFFAOYSA-N
Molecular formula: C22H18O4
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.12050905

Names & identifiers

Preferred name: 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester
IUPAC: dibenzyl benzene-1,4-dicarboxylate
English name: Dibenzyl terephthalate
Molecular formula: C22H18O4
Molecular weight: 346.38

Names & synonyms

1,4-Benzenedicarboxylic acid, bis(phenylmethyl) esterRefChem:416046Dibenzyl terephthalate19851-61-7dibenzyl benzene-1,4-dicarboxylate1,4-Benzenedicarboxylic acid, 1,4-bis(phenylmethyl) esterMFCD000757291,4-Benzenedicarboxylic Acid, Bis(phenylmethyl) Ester;terephthalic acid dibenzyl esterEINECS 243-370-01,4-Dibenzyl terephthalateSCHEMBL312287

Show more names

F-204(DBT)Benzyl TerephthalateDibenzyl terephthalatesibenzylbenzene-1,4-dicarboxylate1,4-Benzendicarboxylicacidbis(phenylmethyl)ester

DTXSID80173600Terephthalic acid, dibenzyl esterIWGFEQWCMAADJZ-UHFFFAOYSA-NFT70695AS-80625phenylmethyl 4-[benzyloxycarbonyl]benzoateSY423857NS00026463

Database identifiers

CAS: 19851-61-7
PubChem CID: 88280
DTXSID: DTXSID80173600
EC Number: 243-370-0
Nikkaji: J42.305J

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 399

Physicochemical properties

Melting point: 95 · 95-97°C
Boiling point: 441.12 °C · 441.12°C (rough estimate)
Density: 1.1637 · 1.1637 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
color: Off-White to Pale Yellow
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

risk_code: 36/37/38
safety_code: 26-36/37/39

Chemistry & industry

Applications

UsesDibenzyl terephthalate is used in the synthesis of Pharacine (P294550), which is a natural p-cyclophane from the bacterial strain Cytophaga sp. AM13.1. Pharacine is a poly(butylene terephthalate) dimer.

Suppliers48 total

湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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