Basic information
- CAS
85-22-3- Standard SMILES
CCc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
FIAXCDIQXHJNIX-UHFFFAOYSA-N- Molecular formula
- C8H5Br5
- Average molar mass
- 500.64 g/mol
- Monoisotopic mass
- 495.63081
Overview
Insoluble in water. (NTP, 1992)
Names & identifiers
- Preferred name
- Pentabromoethylbenzene
- IUPAC
- 1,2,3,4,5-pentabromo-6-ethylbenzene
- English name
- 2,3,4,5,6-Pentabromoethylbenzene
- Molecular formula
- C8H5Br5
- Molecular weight
- 500.65
Names & synonyms
2,3,4,5,6-Pentabromoethylbenzene85-22-3PENTABROMOETHYLBENZENEEB 80DTXSID7021782697LYO57KPDTXCID701782PEB cpdRefChem:81222201-593-01,2,3,4,5-Pentabromo-6-ethylbenzeneBenzene, pentabromoethyl-
Show more names
eb80pentabromoethyl-benzenLoxoprofen Impurity 1191-(Pentabromophenyl)ethanepentabromoethylbenzene(peb)2,3,4,5,6-Pentabromo-1-ethylbenzene1-Ethyl-2,3,4,5,6-pentabromobenzene
Benzene,1,2,3,4,5-pentabromo-6-ethyl-Benzene, 1,2,3,4,5-pentabromo-6-ethyl-CCRIS 4852EINECS 201-593-0BRN 3133073UNII-697LYO57KP3-05-00-00801 (Beilstein Handbook Reference)SCHEMBL3683190
Database identifiers
- CAS
85-22-3- PubChem CID
- 6800
- DTXSID
DTXSID7021782- ChEMBL
CHEMBL3560446- UNII
- 697LYO57KP
- EC Number
- 201-593-0
- Nikkaji
- J91.421E
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SolubilityInsoluble (NTP, 1992)
Melting Point279 to 282 °F (NTP, 1992)
Physical DescriptionInsoluble in water. (NTP, 1992)
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 367.74 °C · 367.74°C (rough estimate)
- Density
- 2.8012 · 2.8012 (rough estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly, heated)
- color
- White to Off-White
- BRN
- 3133073 · 3133073
- Henry's Law Constant
- 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS DataBase Reference
- 85 · 85-22-3
- FDA UNII
- 697 LYO57KP · 697LYO57KP
- EPA Substance Registry System
- Pentabromoethylbenzene (85-22-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 2 · 2
- RTECS
- 6639000 · DA6639000
- TSCA
- TSCA listed
- Toxicity
- 50 skn-rbt: · LD50 skn-rbt: >8 g/kg TSCAT* OTS0515763
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, pentabromoethyl-
Hazard Traits - Carcinogenicity
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this chemical are not available; it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Irritant. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile
Simple aromatic halogenated organic compounds, such as 2,3,4,5,6-PENTABROMOETHYLBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DA6639000
- Toxicity
- LD50 skn-rbt: >8 g/kg TSCAT* OTS0515763
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,3,4,5-pentabromo-6-ethyl-: INACTIVE
Applications
UsesPentabromoethylbenzene is a flame retardant and a standard for environmental testing and research.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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