ChemicalBook--->CAS DataBase List--->629-04-9

629-04-9

629-04-9 Structure

629-04-9 Structure
IdentificationMore
[Name]

1-Bromoheptane
[CAS]

629-04-9
[Synonyms]

1-BROMOHEPTANE
HEPTYL BROMIDE
N-HEPTYL BROMIDE
1-Bromheptan
1-bromo-heptan
1-Heptylbromide
bromo heptane
heptane,1-bromo-
Heptylbromid
1-Bromoheptane,98+%
1-BROMOHEPTANE pure
[EINECS(EC#)]

211-068-8
[Molecular Formula]

C7H15Br
[MDL Number]

MFCD00000273
[Molecular Weight]

179.1
[MOL File]

629-04-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid
[Melting point ]

−58 °C(lit.)
[Boiling point ]

180 °C(lit.)
[density ]

1.14 g/mL at 25 °C(lit.)
[vapor density ]

6.18 (vs air)
[refractive index ]

n20/D 1.4499(lit.)
[Fp ]

141 °F
[storage temp. ]

Store at RT.
[solubility ]

0.0066g/l
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Stability:]

Stable. Flammable. Incompatible with oxidizing agents, strong bases.
[Water Solubility ]

insoluble
[BRN ]

1697160
[Dielectric constant]

5.3(24℃)
[InChIKey]

LSXKDWGTSHCFPP-UHFFFAOYSA-N
[CAS DataBase Reference]

629-04-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Heptane, 1-bromo-(629-04-9)
[EPA Substance Registry System]

629-04-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37:Irritating to eyes and respiratory system .
[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 .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

MI8100000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29033036
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Nonanoic acid-->Tetraheptylammonium bromide-->1-HEPTANESULFONIC ACID SODIUM SALT MONOHYDRATE-->Sodium 1-heptanesulfonate-->HEPTYL FORMATE-->3-ETHYLPENTANE-->HEPTYLMAGNESIUM BROMIDE-->1-(4-hydroxy-3-methoxyphenyl)decan-5-one-->1-AMINOHEPTANE-->1-bromo-2-heptoxybenzene-->HEPTYLZINC BROMIDE 0.5M SOLUTION IN-->(1-HEPTYL-1H-BENZIMIDAZOL-2-YL)METHANOL-->Benzenebutanol, b-amino-4-(heptyloxy)-b-methyl--->Benzeneethanol, 2-octyl-, 1-methanesulfonate-->Propanedioic acid, 2-(acetylamino)-2-[2-(2-octylphenyl)ethyl]-, 1,3-diethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Bromoheptane(629-04-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

1-bromoheptane is an important precursor material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 34, p. 1172, 1969 DOI: 10.1021/jo01256a104
Tetrahedron, 39, p. 4097, 1983 DOI: 10.1016/S0040-4020(01)88628-2
[Purification Methods]

Shake it with conc H2SO4, wash with water, dry it with K2CO3, and fractionally distil. [Beilstein 1 IV 391.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromoheptane(629-04-9)MS
1-Bromoheptane(629-04-9)1HNMR
1-Bromoheptane(629-04-9)13CNMR
1-Bromoheptane(629-04-9)IR1
1-Bromoheptane(629-04-9)IR2
1-Bromoheptane(629-04-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromoheptane, 99%(629-04-9)
[Alfa Aesar]

1-Bromoheptane, 98+%(629-04-9)
[Sigma Aldrich]

629-04-9(sigmaaldrich)
[TCI AMERICA]

1-Bromoheptane,>98.0%(GC)(629-04-9)
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