ChemicalBook--->CAS DataBase List--->585-79-5

585-79-5

585-79-5 Structure

585-79-5 Structure
IdentificationMore
[Name]

3-Bromonitrobenzene
[CAS]

585-79-5
[Synonyms]

1-BROMO-3-NITROBENZENE
3-BROMONITROBENZENE
3-NITROBROMOBENZENE
AKOS 92443
BROMONITROBENZENE-3
M-BROMONITROBENZENE
m-Nitrobromobenzene
1-bromo-3-nitro-benzen
1-Nitro-3-brombenzen
1-Nitro-3-bromobenzene
3-Bromo-1-nitrobenzene
Benzene,1-bromo-3-nitro-
m-bromonitrobenzene(MBNB)
3-BROMNITROBENZOL CA. 97-98%
1-Bromo-3-nitrobenzene,99%
3-Bromo
m-Bromnitrobenzol
3-Nitro-1-bromobenzene
3-Nitrophenyl bromide
[EINECS(EC#)]

209-563-9
[Molecular Formula]

C6H4BrNO2
[MDL Number]

MFCD00024298
[Molecular Weight]

202.01
[MOL File]

585-79-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

51-54 °C
[Boiling point ]

256 °C
[density ]

1.704
[refractive index ]

1.6050 (estimate)
[Fp ]

113 °C
[storage temp. ]

Refrigerator
[solubility ]

10g/l
[form ]

Solid
[color ]

Off-White to Pale Yellow
[BRN ]

2043212
[InChI]

InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
[InChIKey]

FWIROFMBWVMWLB-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=CC([N+]([O-])=O)=C1
[CAS DataBase Reference]

585-79-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-3-nitro-(585-79-5)
[EPA Substance Registry System]

585-79-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R23/24/25:Toxic 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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37:Wear suitable gloves .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2732
[WGK Germany ]

3
[RTECS ]

CY9040500
[Hazard Note ]

Harmful
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29049090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromine-->Carbon tetrachloride-->Iron-->Benzene, 1-broMo-3-nitroso--->3-Bromophenylboronic acid-->3-Bromo-5-nitroaniline-->1-Bromo-2-nitrobenzene-->3-BROMO-N,N-DIMETHYLANILINE-->Benzenediazonium, 3-nitro-, tetrafluoroborate(1-)-->3-Bromoaniline-->3-Nitroaniline
[Preparation Products]

Benzene, 1,4-dicyclopropyl-2-nitro--->3-PHENOXYPHENOL-->2-bromo-1-(bromomethyl)-4-nitrobenzene-->1-(3-Nitrophenyl)piperazine-->4,4'-DINITRODIPHENYL ETHER-->3-NITROPHENYLACETYLENE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-nitrobromobenzene(585-79-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

Labelled glycerol kinase substrate specificity
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 46, p. 2169, 1981 DOI: 10.1021/jo00323a039
[Purification Methods]

Crystallise it twice from pet ether, using charcoal before the first crystallisation. [Beilstein 5 III 618, 5 IV 729.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromonitrobenzene(585-79-5)MS
3-Bromonitrobenzene(585-79-5)1HNMR
3-Bromonitrobenzene(585-79-5)13CNMR
3-Bromonitrobenzene(585-79-5)IR1
3-Bromonitrobenzene(585-79-5)IR2
3-Bromonitrobenzene(585-79-5)IR3
3-Bromonitrobenzene(585-79-5)IR
3-Bromonitrobenzene(585-79-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromo-3-nitrobenzene, 99%(585-79-5)
[Sigma Aldrich]

585-79-5(sigmaaldrich)
[TCI AMERICA]

3-Bromonitrobenzene,>98.0%(GC)(585-79-5)
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