Basic information
- CAS
2725-82-8- Standard SMILES
CCc1cccc(Br)c1- InChIKey
ZRFJYAZQMFCUIX-UHFFFAOYSA-N- Molecular formula
- C8H9Br
- Average molar mass
- 185.06 g/mol
- Monoisotopic mass
- 183.98876239
Names & identifiers
- Preferred name
- Benzene, 1-bromo-3-ethyl-
- IUPAC
- 1-bromo-3-ethylbenzene
- English name
- 1-Bromo-3-ethylbenzene
- Molecular formula
- C8H9Br
- Molecular weight
- 185.06
Names & synonyms
1-Bromo-3-ethylbenzene2725-82-8Benzene, 1-bromo-3-ethyl-DTXSID40181706RefChem:562412DTXCID40104197641-191-63-ethylbromobenzene1-Bromo-3-EthYl-BenzeneMFCD001561283-bromo-ethylbenzene(3-Ethylphenyl)bromide
Show more names
1-Bromo-3-ethyL3-BROMOETHYL BENZENE1-BROMO-3-ETHYLBENZEB**1-BROMO-3-ETHYLBENZENE1-Bromo-3-ethylbenzene 98%1-Bromo-3-ethylbenzene ,98%
m-bromoethylbenzene3ethylbromobenzenem-Ethylbromobenzene(3-Ethylphenyl)bromide; 3-Bromo-1-ethylbenzene; 3-Ethylbromobenzene; m-Bromoethylbenzene; m-Ethylbromobenzene1bromo-3-ethylbenzene3-bromo-1-ethylbenzene1-bromo-3-ethyl benzeneSCHEMBL80602
Database identifiers
- CAS
2725-82-8- PubChem CID
- 123170
- DTXSID
DTXSID40181706- EC Number
- 641-191-6
- Nikkaji
- J2.236.619J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -20.49 °C · -20.49°C (estimate)
- Boiling point
- 85 °C · 85 °C
- Density
- 1 · 1,3493 g/cm3
- refractive index
- 1.5465 · 1.5465
- Flash point
- 76 · 76-78°C/10mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colorless
- CAS DataBase Reference
- 2725 · 2725-82-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Bromo-3-ethylbenzene is a useful synthetic intermediate. 1-Bromo-3-ethylbenzene is also used as a reagent to synthesize novel benzo[1,4]diazepin-2-one derivatives, which act as Endothelin receptor agonists and can possibly be used to reduce arterial blood pressure in humans.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
36 records
Compound notes
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