Basic information
- CAS
13027-28-6- Standard SMILES
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2c(Br)c(Br)c(Br)c(Br)c21- InChIKey
GNJLVMKERYSIAI-UHFFFAOYSA-N- Molecular formula
- C20H10Br4O4
- Average molar mass
- 633.9 g/mol
- Monoisotopic mass
- 629.73126
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-
- IUPAC
- 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
- English name
- 4,5,6,7-Tetrabromophenolphthalein
- Molecular formula
- C20H10Br4O4
- Molecular weight
- 633.91
Names & synonyms
13027-28-61(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-EINECS 235-889-6DTXSID3065326RefChem:408850DTXCID00339644,5,6,7-Tetrabromophenolphthalein4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)isobenzofuran-1(3H)-onePhenoltetrabromophthalein4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-oneMFCD000473144,5,6,7-Tetrabromophenolphthalein (>80%)
Show more names
Tetrabromophthalein4,5,6,7-Tetrabromophenolphthalein >4,5,6,7-Tetrabromophenolphthalein (>80%)4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-1(3h)-isobenzofuranon4,5,6,7-Tetrabromo-3,3-bis(p-hydroxyphenyl)isobenzofuran-1(3H)-one
4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-oneSCHEMBL6246304,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)phthalideSCHEMBL30777403TETRABROMOPHENOLPHTHALEIN, NaCS-0334536NS00024093F731801
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 726.5 · 726.5±60.0 °C(Predicted)
- Density
- 2.152 · 2.152±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.89 · 8.89±0.30(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown to Dark green
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- (13027-28-6)
- TSCA
- TSCA listed
- HS Code
- 2932.2 · 2932.20.5050
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
- hs_code
- 2932.20.5050
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-: INACTIVE
Applications
Uses4,5,6,7-Tetrabromophenolphthalein (CAS# 13027-28-6) is a derivative of phenolphthalein (P318010), an indicator and dye used in the determination of RNA nucleotides 4,5,6,7-Tetrabromophenolphthalein can also be polymerized to form a flammable copolycarbonate.
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
0 records
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Compound notes
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