Basic information
- Standard SMILES
CCc1ccc(Br)cc1- InChIKey
URFPRAHGGBYNPW-UHFFFAOYSA-N- Molecular formula
- C8H9Br
- Average molar mass
- 185.06 g/mol
- Monoisotopic mass
- 183.98876239
Names & identifiers
- Preferred name
- 1-Bromo-4-ethylbenzene
- IUPAC
- 1-bromo-4-ethylbenzene
- English name
- 4-Bromoethylbenzene
- Molecular formula
- C8H9Br
- Molecular weight
- 185.06
Names & synonyms
1-BROMO-4-ETHYLBENZENE1585-07-5p-BromoethylbenzeneBenzene, 1-bromo-4-ethyl-4-Ethylbromobenzenep-Ethylbromobenzene4-Bromoethylbenzene4-ethyl-1-bromobenzeneDTXSID002921842LI8TAT6J4-ETHYLPHENYL BROMIDENSC-60144
Show more names
2PBr1-Bromo-4-ethyL4-Bromethylbenzolp-BromethylbenzolEthyl broMobenzene4-Bromoethylbenzen4-Bromothylbenzene
EINECS 216-439-8NSC 60144P-ETHYLPHENYL BROMIDEDTXCID809218RefChem:430636216-439-81-Bromo-4-EthYl-Benzene4-bromo-1-ethylbenzene
Database identifiers
- CAS
1585-07-5- PubChem CID
- 15313
- DTXSID
DTXSID0029218- ChEMBL
CHEMBL3188177- UNII
- 42LI8TAT6J
- EC Number
- 216-439-8
- Nikkaji
- J44.127I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -43 °C · -43°C
- Boiling point
- 204 °C · 204 °C(lit.)
- Density
- 1.343 g/mL · 1.343 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 147 °F · 147 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 1.343 · 1.343
- Water Solubility
- Insoluble in water.
- BRN
- 1856989 · 1856989
- Henry's Law Constant
- 3.1 · 3.1×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
- InChIKey
- URFPRAHGGBYNPW-UHFFFAOYSA-N
- SMILES
- CCc1ccc(Br)cc1
- CAS DataBase Reference
- 1585 · 1585-07-5(CAS DataBase Reference)
- FDA UNII
- 42 LI8TAT6J · 42LI8TAT6J
- NIST Chemistry Reference
- 1 · 1-Bromo-4-ethylbenzene(1585-07-5)
- EPA Substance Registry System
- 1 · Benzene, 1-bromo-4-ethyl- (1585-07-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 2810 · UN 2810
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29036990 · 29036990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 13.6% (3 of 22) of reports.
Warning
H315 (86.4%): 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 22 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 17-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25850
Benzene, 1-bromo-4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (86.4%)
Toxicology
EPA Provisional Peer-Reviewed Toxicity Values
1-Bromo-4-Ethylbenzene
PDF Document
2011
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810
- hs_code
- 29036990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-4-ethyl-: ACTIVE
Applications
Uses1-Bromo-4-ethylbenzene is organo bromide with flame retardant properties.
Uses1-Bromo-4-ethylbenzene is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
UsesIntermediates of Liquid Crystals
General Description1-Bromo-4-ethylbenzene undergoes oxidation to give 4′-bromoacetophenone (74.3% yield).
Upstream & downstream products
Downstream products
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