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ChemicalBook--->CAS DataBase List--->586-78-7

586-78-7

586-78-7 Structure

586-78-7 Structure
IdentificationMore
[Name]

1-Bromo-4-nitrobenzene
[CAS]

586-78-7
[Synonyms]

1-BROMO-4-NITROBENZENE
4-bromo-1-nitrobenzene
4-BROMONITROBENZENE
4-NITROBROMOBENZENE
P-BROMONITROBENZENE
p-Nitrobromobenzene
1-bromo-4-nitro-benzen
4-nitrophenylbromide
benzene,1-bromo-4-nitro-
nitrobromobenzene
p-nitrophenylbromide
1-Bromo-4-nitrobenzene,98%
4-Nitro-1-bromobenzene
[EINECS(EC#)]

209-583-8
[Molecular Formula]

C6H4BrNO2
[MDL Number]

MFCD00007280
[Molecular Weight]

202.01
[MOL File]

586-78-7.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow powder
[Melting point ]

124-126 °C(lit.)
[Boiling point ]

255-256 °C(lit.)
[density ]

1,95 g/cm3
[refractive index ]

1.6060 (estimate)
[Fp ]

254-256°C
[storage temp. ]

Store below +30°C.
[form ]

Crystalline Powder
[color ]

Light yellow
[Water Solubility ]

insoluble
[BRN ]

636964
[InChIKey]

ZDFBKZUDCQQKAC-UHFFFAOYSA-N
[CAS DataBase Reference]

586-78-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-4-nitro-(586-78-7)
[EPA Substance Registry System]

586-78-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
[RIDADR ]

UN 3459 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

CY9040550
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29049085
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Bromobenzene
[Preparation Products]

4-Nitrophenylboronic acid-->6-Bromoquinoline-->4-Bromophenoxybenzene-->NSC10978-->4-Nitroanisole-->4,4'-THIODIANILINE-->ethenylsulfanylethene-->4-bromo-2,6-dinitrophenol-->N,N-DIETHYL-4-NITROANILINE-->4-Nitrophenylboronic acid pinacol ester-->1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine-->2,7-Dibromophenazine-->4,4'-DINITROBIPHENYL-->Benzenamine, 4-(1-naphthalenyl)--->3-DIETHYLAMINO-1-NITROBENZENE-->1,2-Bis(4-bromophenyl)diazene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromo-1-nitrobenzene(586-78-7).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow powder
[Uses]

It can be employed as a syntheses material intermediate. It is also used as a pharmaceutical intermediate.
[Synthesis Reference(s)]

Tetrahedron, 43, p. 4321, 1987 DOI: 10.1016/S0040-4020(01)90307-2
[Purification Methods]

Crystallise it twice from pet ether, using charcoal before the first crystallisation. [Beilstein 5 III 619, 5 IV 729.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromo-4-nitrobenzene(586-78-7)MS
1-Bromo-4-nitrobenzene(586-78-7)1HNMR
1-Bromo-4-nitrobenzene(586-78-7)13CNMR
1-Bromo-4-nitrobenzene(586-78-7)IR1
1-Bromo-4-nitrobenzene(586-78-7)IR2
1-Bromo-4-nitrobenzene(586-78-7)Raman
1-Bromo-4-nitrobenzene(586-78-7)ESR
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