p-Bromophenyl octyl ether

HCID 145298
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Basic information

CAS
96693-05-9
Standard SMILES
CCCCCCCCOc1ccc(Br)cc1
InChIKey
UVBFFPZGOOKWNR-UHFFFAOYSA-N
Molecular formula
C14H21BrO
Average molar mass
285.22 g/mol
Monoisotopic mass
284.07758

Names & identifiers

Preferred name
p-Bromophenyl octyl ether
IUPAC
1-bromo-4-octoxybenzene
English name
4-n-Octyloxybromobenzene
Molecular formula
C14H21BrO
Molecular weight
285.22

Names & synonyms

p-Bromophenyl octyl ether96693-05-9DTXSID50242392RefChem:169292DTXCID50164883UVBFFPZGOOKWNR-UHFFFAOYSA-N1-Bromo-4-(octyloxy)benzene4-N-OCTYLOXYBROMOBENZENE1-bromo-4-octoxybenzene1-bromo-4-octyloxybenzeneMFCD000434454-bromo-1-octyloxybenzene
Show more names
TIMTEC-BB SBB008360P-OCTYLOXYBROMOBENZENE1-(4-BROMOPHENOXY)OCTANEP-BROMO(OCTYLOXY)BENZENE4-Bromo-(octyloxy)-benzene
4-octyloxybromobenzene4-bromo-octyloxybenzene1-bromo-4-octoxy-benzene(4-bromophenyl) octyl ether4-bromo-1-n-octyloxybenzeneSCHEMBL11023411-Bromo-4-(octyloxy)benzene #SBB008360

Database identifiers

CAS
96693-05-9
PubChem CID
145298
DTXSID
DTXSID50242392
Nikkaji
J156.398J

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
16

Physicochemical properties

Melting point
130 · 130-140 °C
Boiling point
135 · 135-137°C 0,5mm
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
refractive index
1.518 · 1.5180
Flash point
135 · 135-137°C/0.5mm
CAS DataBase Reference
96693 · 96693-05-9(CAS DataBase Reference)

Safety & regulation

Safety data

risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers12 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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