ChemicalBook--->CAS DataBase List--->350-30-1

350-30-1

350-30-1 Structure

350-30-1 Structure
IdentificationMore
[Name]

3-Chloro-4-fluoronitrobenzene
[CAS]

350-30-1
[Synonyms]

1-CHLORO-2-FLUORO-5-NITROBENZENE
2-CHLORO-1-FLUORO-4-NITROBENZENE
3-CHLORO-4-FLUORONITROBENZENE
4-FLUORO-3-CHLORONITROBENZENE
2-chloro-1-fluoro-4-nitro-benzen
Benzene, 2-chloro-1-fluoro-4-nitro-
Benzene,2-chloro-1-fluoro-4-nitro-
3-chloro-4-fluorobenzene
3-CHLORO-4-FLUORONITROANILINE
3-Chloro-4-fluoronitrobenzene 98%
3-Chloro-4-fluoronitrobenzene98%
1-Nitro-3-chloro-4-fluorobenzene
1-Nitro-4-fluoro-3-chlorobenzene
3-Chloro-4-fluoro-1-nitrobenzene
[EINECS(EC#)]

206-499-3
[Molecular Formula]

C6H3ClFNO2
[MDL Number]

MFCD00007206
[Molecular Weight]

175.54
[MOL File]

350-30-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

40-42 °C(lit.)
[Boiling point ]

227-232°C
[density ]

1.61
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Light yellow to Green
[BRN ]

1944997
[InChI]

InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
[InChIKey]

DPHCXXYPSYMICK-UHFFFAOYSA-N
[SMILES]

C1(F)=CC=C([N+]([O-])=O)C=C1Cl
[CAS DataBase Reference]

350-30-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Chloro-4-fluoronitrobenzene(350-30-1)
[EPA Substance Registry System]

350-30-1(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

In certain instances, when both chloro and nitro may act as a leaving group, a surprising selectivity of one over the other is observed, for example chloro-2,5- dinitrobenzene was converted to 4-fluoro-3-chloronitrobenzene.
3-Chloro-4-fluoronitrobenzene
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
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 ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

CZ0720000
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29049090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Fluorobenzene-->4-Fluoronitrobenzene-->Dioctadecyl dimethyl ammonium chloride-->3,4-Dinitrochlorobenzene-->4-Chloro-3-fluoronitrobenzene-->Sulfolane-->2-Chlorofluorobenzene-->2,4-Dinitrofluorobenzene-->1,2-Dichlorobenzene-->3,4-Dichloronitrobenzene
[Preparation Products]

Norfloxacin-->1,3-Dichloro-4-fluorobenzene-->3-Chloro-4-morpholinoaniline-->3,4-Difluoronitrobenzene-->1-(2-Chloro-4-nitro-phenyl)-piperidine-->(2-chloro-4-nitrophenyl)hydrazine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Chloro-4-fluoronitrobenzene(350-30-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

2-Chloro-1-fluoro-4-nitrobenzene is an intermediate used in synthesis of benzoimidolones on Ameba resin and methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 63, p. 8448, 1998 DOI: 10.1021/jo981557o
Synthetic Communications, 21, p. 505, 1991 DOI: 10.1080/00397919108016776
[General Description]

2-Chloro-1-fluoro-4-nitrobenzene undergoes reduction in the presence of Mo(CO)6 and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) under microwave irradiation to yield a mixture of 3-chloro-4-fluoroaniline and 3-chloro-4-ethoxyaniline.
[References]

[1] Catalysis Today, 2012, vol. 198, # 1, p. 300 - 304
[2] Chemical Communications, 1996, # 3, p. 297 - 298
[3] Chemical Communications, 1996, # 3, p. 297 - 298
[4] Journal of Fluorine Chemistry, 2004, vol. 125, # 5, p. 701 - 704
[5] Advanced Synthesis and Catalysis, 2008, vol. 350, # 17, p. 2677 - 2682
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-4-fluoronitrobenzene(350-30-1)MS
3-Chloro-4-fluoronitrobenzene(350-30-1)1HNMR
3-Chloro-4-fluoronitrobenzene(350-30-1)13CNMR
3-Chloro-4-fluoronitrobenzene(350-30-1)IR1
3-Chloro-4-fluoronitrobenzene(350-30-1)IR2
3-Chloro-4-fluoronitrobenzene(350-30-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-4-fluoronitrobenzene, 98%(350-30-1)
[Alfa Aesar]

2-Chloro-1-fluoro-4-nitrobenzene, 98%(350-30-1)
[Sigma Aldrich]

350-30-1(sigmaaldrich)
[TCI AMERICA]

3-Chloro-4-fluoronitrobenzene,>95.0%(GC)(350-30-1)
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