Basic information
- CAS
615-54-3- Standard SMILES
Brc1ccc(Br)c(Br)c1- InChIKey
FWAJPSIPOULHHH-UHFFFAOYSA-N- Molecular formula
- C6H3Br3
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 311.77849
Names & identifiers
- Preferred name
- 1,2,4-Tribromobenzene
- IUPAC
- 1,2,4-tribromobenzene
- English name
- 1,2,4-Tribromobenzene
- Molecular formula
- C6H3Br3
- Molecular weight
- 314.8
Names & synonyms
1,2,4-TRIBROMOBENZENE615-54-3Benzene, 1,2,4-tribromo-DTXSID5024346EOE1KFC260NSC-62440DTXCID604346RefChem:411001210-433-9MFCD000000621,2,4-TribomobenzeneNSC 62440
Show more names
Imidaprilat Impurity 101,2,4-Tribromobenzene>1,2,4-Tribromobenzene,95%1,2,4-Tribromobenzene - [T94174]1,2,4-TRIBROMOBENZENE ISO 9001：2015 REACH
Benzene,2,4-tribromo-1,2,4-tribromo-benzenNCIOpen2_0080431,2,4-Tribromobenzene>Benzene, 1,2,4-tribromo-1,2,4-TRIBROMOBENZENE ISO 90012015 REACHCAS-615-54-3EINECS 210-433-9UNII-EOE1KFC260
Database identifiers
- CAS
615-54-3- PubChem CID
- 12002
- DTXSID
DTXSID5024346- ChEMBL
CHEMBL3182885- UNII
- EOE1KFC260
- EC Number
- 210-433-9
- Nikkaji
- J134.566D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.3
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesPesticide -> EPA IRIS
LogP4.98
Physicochemical properties
- Melting point
- 41 · 41-43 °C (lit.)
- Boiling point
- 275 °C · 275 °C
- Density
- 2.3515 · 2.3515 (estimate)
- refractive index
- 110 · >110^o(230^oF)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Insoluble in water.
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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Target OrgansHepatic
EPA IRIS Information
1,2,4-Tribromobenzene
Hepatic
5 x 10 ^-3 mg/kg-day
RAIS Toxicity Values
0.005
IRIS Current
0.05
HEAST Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
3.90e+02
5.80e+03
4.50e+01
3.00e+00
6.40e-02
5.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.20e+03
1.80e+04
1.30e+02
3.00e+00
5.00e-03
Volatile
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,4-tribromo-: ACTIVE
Applications
Uses1,2,4-tribromobenzene is used in the synthesis of hyper branched poly(p-phenylene ethynylenes). It is used as cross-linking reagent during Pd-catalyzed cross-coupling of 2,5-diiodo-4-[(2-ethylhexyl)oxy]methoxybenzene and 1,4-diethynyl-2,5-bis-(octyloxy)benzene. It is a compound commonly used in organic synthesis reactions.
General Description1,2,4-tribromobenzene on photochemical dehalogenation in open-air solutions of acetonitrile yields 1,4-dibromobenzene, 1,3-dibromobenzene and 1,2-dibromobenzene.
Upstream & downstream products
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
1 records
Compound notes
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