Basic information
- CAS
2211-31-6- Standard SMILES
Cc1cc(OC(=O)c2ccccc2)c2ccccc2c1OC(=O)c1ccccc1- InChIKey
BVVDINJVWBJRHY-UHFFFAOYSA-N- Molecular formula
- C25H18O4
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.12050905
Names & identifiers
- Preferred name
- 2-Methylnaphthalene-1,4-diyl dibenzoate
- IUPAC
- (4-benzoyloxy-3-methylnaphthalen-1-yl) benzoate
- English name
- 2-methylnaphthalene-1,4-diyl dibenzoate
- Molecular formula
- C25H18O4
- Molecular weight
- 382.40802
Names & synonyms
2-Methylnaphthalene-1,4-diyl dibenzoateEINECS 218-649-5Q6ND4F7E44DTXSID101766241,4-DIBENZOYLOXY-2-METHYLNAPHTHALENE1,4-NAPHTHALENEDIOL, 2-METHYL-, 1,4-DIBENZOATERefChem:88344DTXCID9099115218-649-52211-31-6UNII-Q6ND4F7E44BVVDINJVWBJRHY-UHFFFAOYSA-N
Show more names
Dibenzoic acid 2-methyl-1,4-naphthylene ester(4-benzoyloxy-3-methylnaphthalen-1-yl) benzoate
1,4-dibenzoyloxy-2-methyl naphthaleneAKOS024420798NS000270594-(BENZOYLOXY)-3-METHYL-1-NAPHTHYL BENZOATE
Database identifiers
- CAS
2211-31-6- PubChem CID
- 75166
- DTXSID
DTXSID10176624- UNII
- Q6ND4F7E44
- EC Number
- 218-649-5
- Nikkaji
- J34.447H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- FDA UNII
- 6 ND4F7E44 · Q6ND4F7E44
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
郑州原理生物科技有限公司0371-67897870 18339906974 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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