Basic information
- CAS
1301-20-8- Standard SMILES
O=C1OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21- InChIKey
OBRGVMYQZVQHGO-UHFFFAOYSA-N- Molecular formula
- C20H10Br4O4
- Average molar mass
- 633.9 g/mol
- Monoisotopic mass
- 629.73126
Overview
RN given refers to cpd with locants as specified; structure
Names & identifiers
- Preferred name
- Tetrabromophenolphthalein
- IUPAC
- 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one
- English name
- 3',3'',5',5''-Tetrabromophenolphthalein
- Molecular formula
- C20H10Br4O4
- Molecular weight
- 633.91
Names & synonyms
76-62-0Tetrabromophenolphthalein3',3'',5',5''-Tetrabromophenolphthalein1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-YZ4HT20I0VPhenolphthalein, 3',3'',5',5''-tetrabromo-DTXSID0058801NSC-21261RefChem:484492DTXCID9047833200-974-9624-058-7
Show more names
A 84568Nsc 21261LABOTEST-BB LT00451926TETRA BROMO PHENOLPHTHALEIN3',3',5',5'-TETRABROMOPHENOLPHTHALEIN3',3'',5',5''-Tetrabromophenophthaleine3,3'',5,5''-TETRABROMOPHENOLPHTHALEIN 99%3',3'',5',5''-Tetrabromophenolphthalein,99%
1301-20-83,3-Bis(3,5-dibromo-4-hydroxyphenyl)isobenzofuran-1(3H)-one3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-oneMFCD00005910CHEMBL521800Tetbrothalein3,3-Bis(3,5-dibromo-4-hydroxyphenyl)phthalide3,3-bis(3,5-dibromo-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 551
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 294 °C · 294 °C
- Boiling point
- 598.6 · 598.6±50.0 °C(Predicted)
- Density
- 2.0363 · 2.0363 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- solubility
- Solubility Practically insoluble in water; soluble in ethanol, ether
- form
- powder
- pka
- 6.2 · 6.20(at 25℃)
- color
- White
- PH Range
- Colorless (7.6) to violet (9.4)
- λmax
- 310 nm, · 310nm, 218nm
- Merck
- 9186 · 9186
- Major Application
- Optical materials, photoresists, photoreceptor materials, photoconductive materials, inks, genomics, diagnosis of kidney diseases
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 236 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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