2-Bromo-1,3-diethylbenzene

HCID 522160

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Basic information

CAS: 65232-57-7
Standard SMILES: CCc1cccc(CC)c1Br
InChIKey: FPWGIABDOFXETH-UHFFFAOYSA-N
Molecular formula: C10H13Br
Average molar mass: 213.11 g/mol
Monoisotopic mass: 212.02006252

Names & identifiers

Preferred name: 2-Bromo-1,3-diethylbenzene
IUPAC: 2-bromo-1,3-diethylbenzene
English name: 2-Bromo-1,3-diethylbenzene
Molecular formula: C10H13Br
Molecular weight: 213.11

Names & synonyms

2-Bromo-1,3-diethylbenzene65232-57-72,6-DiethylbromobenzeneDTXSID70334864RefChem:465801DTXCID20285953684-690-41-Bromo-2,6-diethylbenzeneMFCD00017770Benzene, 2-bromo-1,3-diethyl-2,6-Diethyl bromobenzeneSCHEMBL62557

Show more names

2,6-Diethylphenylbromide1-Bromo-2,6-diethylbenzene~2,6-Diethylbromobenzene

2-Bromo-1,3-diethyl-benzeneCHEMBL111762BDBM50409543AKOS015917672BS-22844CS-0152559Y147181,3-diethyl-2-bromobenzene

Database identifiers

CAS: 65232-57-7
PubChem CID: 522160
DTXSID: DTXSID70334864
ChEMBL: CHEMBL111762
EC Number: 684-690-4、918-853-0
Nikkaji: J1.290.582C

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 99.4

Physicochemical properties

Boiling point: 78 · 78-80°C 2mm
Density: 1 · 1,264 g/cm3
refractive index: 1.543 · 1.5430
Flash point: 78 · 78-80°C/2mm
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Water Solubility: Insoluble in water.
BRN: 2501180 · 2501180
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety Statements: 24 · 24/25

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.