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1078-71-3

1078-71-3 Structure

1078-71-3 Structure
IdentificationMore
[Name]

N-HEPTYLBENZENE
[CAS]

1078-71-3
[Synonyms]

1-PHENYLHEPTAN
1-PHENYLHEPTANE
HEPTYLBENZENE
LABOTEST-BB LT00159055
N-HEPTYLBENZENE
PHENYLHEPTANE
Benzene, heptyl-
benzene,heptyl-
Heptane, 1(or 7)-phenyl-
Heptane, 1-phenyl-
heptane,1-phenyl-
heptyl-benzen
n-heptbenzene
1-PHENYLHEPTANE, STANDARD FOR GC
n-Peptylbenzene
[EINECS(EC#)]

214-084-3
[Molecular Formula]

C13H20
[MDL Number]

MFCD00009545
[Molecular Weight]

176.3
[MOL File]

1078-71-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

−48 °C(lit.)
[Boiling point ]

233 °C(lit.)
[density ]

0.86 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

203 °F
[storage temp. ]

Store at room temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.860
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[BRN ]

1905782
[InChI]

1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
[InChIKey]

LBNXAWYDQUGHGX-UHFFFAOYSA-N
[SMILES]

CCCCCCCc1ccccc1
[CAS DataBase Reference]

1078-71-3(CAS DataBase Reference)
[NIST Chemistry Reference]

n-Heptylbenzene(1078-71-3)
[EPA Substance Registry System]

1078-71-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

1-Phenylheptane is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent.
[Definition]

ChEBI: 1-Phenylheptane is a member of benzenes.
[Synthesis Reference(s)]

Tetrahedron Letters, 27, p. 3239, 1986 DOI: 10.1016/S0040-4039(00)84763-2
[General Description]

Heptylbenzene (1-Phenylheptane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.
Spectrum DetailBack Directory
[Spectrum Detail]

N-HEPTYLBENZENE(1078-71-3)MS
N-HEPTYLBENZENE(1078-71-3)1HNMR
N-HEPTYLBENZENE(1078-71-3)13CNMR
N-HEPTYLBENZENE(1078-71-3)IR1
N-HEPTYLBENZENE(1078-71-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Heptylbenzene, 97%(1078-71-3)
[Alfa Aesar]

n-Heptylbenzene, 98%(1078-71-3)
[Sigma Aldrich]

1078-71-3(sigmaaldrich)
[TCI AMERICA]

Heptylbenzene,>97.0%(GC)(1078-71-3)
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