Basic information
- CAS
61931-71-3- Standard SMILES
CCOC(=O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1- InChIKey
KFSRWWJHWXPGQO-UHFFFAOYSA-N- Molecular formula
- C22H16Br4O4
- Average molar mass
- 664 g/mol
- Monoisotopic mass
- 659.77821
Names & identifiers
- Preferred name
- Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester
- IUPAC
- ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate
- English name
- ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate
- Molecular formula
- C22H16Br4O4
- Molecular weight
- 663.98
Names & synonyms
ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoateBenzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl esterEINECS 263-331-1DTXSID1069532Ethyl 2-(bis(3,5-dibromo-4-hydroxyphenyl)methyl)benzoateBenzoic acid, 2-(bis(3,5-dibromo-4-hydroxyphenyl)methyl)-, ethyl esterRefChem:326796DTXCID4043195263-331-161931-71-3KFSRWWJHWXPGQO-UHFFFAOYSA-NDB-326350
Show more names
2-[Bis(4-hydroxy-3,5-dibromophenyl)methyl]benzoic acid ethyl ester2-[Bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid ethyl ester2-(3,5,3',5'-tetrabromo-4,4'-dihydroxy-benzhydryl)-benzoic acid ethyl ester
NS00034852ETHYL 2-[BIS(3,5-DIBROMO-4-HYDROXYPHENYL)METHYL ]BENZOATE
Database identifiers
- CAS
61931-71-3
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 525
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester (61931-71-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester: INACTIVE
Suppliers1 total
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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