Basic information
- CAS
20566-35-2- Standard SMILES
CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO- InChIKey
OQHHASWHOGRCRC-UHFFFAOYSA-N- Molecular formula
- C15H16Br4O7
- Average molar mass
- 627.9 g/mol
- Monoisotopic mass
- 623.76295
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
- IUPAC
- 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-(2-hydroxypropyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
- English name
- 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
- Molecular formula
- C15H16Br4O7
- Molecular weight
- 627.9
Names & synonyms
2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalateEINECS 243-885-02-(2-hydroxyethoxy)ethyl tetrabromophthalate-2-hydroxypropyl2-Hydroxypropyl 2-(2-hydroxyethyl)ethyl tetrabromophthalateDTXSID60864948EC 243-885-01,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-(2-(2-hydroxyethoxy)ethyl) 2-(2-hydroxypropyl) esterRefChem:453955DTXCID90813409243-885-020566-35-2
Show more names
ydroxypropyl esterTETRABROMOPHTHALICACIDDIOLPOLYESTER2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl ester(hydroxypropyl-2-hydroxyethyl)ethyl tetrabromophthalate2-(2-Hydroxyethoxy)ethyl-2-hydroxypropyl-3,4,5,6-tetrabromphthalat2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyltetrabromo phthalate in toluene
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-(2-hydroxypropyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylateOQHHASWHOGRCRC-UHFFFAOYSA-NHEEMP-TEBPSCHEMBL1695539SCHEMBL30197055DB-228437NS000058382-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 598.5 · 598.5±50.0 °C(Predicted)
- Density
- 1.998 · 1.998±0.06 g/cm3(Predicted)
- pka
- 13.73 · 13.73±0.20(Predicted)
- Henry's Law Constant
- 3.6 · 3.6×1010 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3
- InChIKey
- OQHHASWHOGRCRC-UHFFFAOYSA-N
- SMILES
- C1(C(OCCOCCO)=O)=C(Br)C(Br)=C(Br)C(Br)=C1C(OCC(O)C)=O
- EPA Substance Registry System
- 2 · 2-(2-hydroxyethoxy)ethyl tetrabromophthalate-2-hydroxypropyl (20566-35-2)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
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
This chemical does not meet GHS hazard criteria for 73.2% (71 of 97) of all reports.
H412 (26.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate (EC: 243-885-0)
Hazard Classes and CategoriesAquatic Chronic 3 (26.8%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
General Manufacturing Information1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester: ACTIVE
Applications
UsesTetrabromophthalic acid-2-(2-hydroxyethoxylated)ethyl-2-hydroxypropyl ester is mainly used in pharmaceutical synthesis and scientific research experiments.
Suppliers25 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…