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233234

Sigma-Aldrich

3-Chloro-4-fluoronitrobenzene

98%

Synonym(s):

2-Chloro-1-fluoro-4-nitrobenzene

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About This Item

Linear Formula:
ClC6H3(F)NO2
CAS Number:
350-30-1
Molecular Weight:
175.54
EC Number:
206-499-3
MDL number:
MFCD00007206
UNSPSC Code:
12352100
PubChem Substance ID:
24853962
NACRES:
NA.22

Assay

98%

form

solid

mp

40-42 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(F)c(Cl)c1

InChI

1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

InChI key

DPHCXXYPSYMICK-UHFFFAOYSA-N

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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.

Application

2-Chloro-1-fluoro-4-nitrobenzene has been used in synthesis of:
  • benzoimidolones on Ameba resin
  • methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318,H335

Precautionary Statements

P261 - P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

233234-100G:
233234-25G:
233234-VAR:
233234-BULK:
233234-5G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Microwave mediated reduction of heterocycle and fluorine containing nitroaromatics with Mo (CO)6 and DBU.
Spencer J, et al.
Tetrahedron, 64(44), 10195-10200 (2008)
Practical and efficient synthesis of N-fused tricyclic indoles.
Koay N, et al.
Tetrahedron Letters, 52(1), 122-124 (2011)
Microwave-assisted traceless synthesis of benzimidazolones.
Xu X-J and Zong Y-X.
Tetrahedron Letters, 48(1), 129-132 (2007)

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