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101702

4-Chloro-2-nitrotoluene

Name: 4-Chloro-2-nitrotoluene
Brand: ALDRICH

98%

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About This Item

Linear Formula:

CH₃C₆H₃(NO₂)Cl

CAS Number:

89-59-8

Molecular Weight:

171.58

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24846551

EC Number:

201-921-2

Beilstein/REAXYS Number:

2046651

MDL number:

MFCD00007215

Assay:

98%

Form:

solid

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Properties

Quality Level

100

assay

98%

form

solid

bp

239-240 °C/718 mmHg (lit.)

mp

34-38 °C (lit.)

functional group

chloro, nitro

SMILES string

Cc1ccc(Cl)cc1[N+]([O-])=O

InChI

1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

InChI key

SQFLFRQWPBEDHM-UHFFFAOYSA-N

Description

Application

4-Chloro-2-nitrotoluene can be used in the synthesis of indigo dye.

Biochem/physiol Actions

4-Chloro-2-nitrotoluene is the starting reagent for synthesis of tricyclic indole-2-carboxylic acids, a potential NMDA-glycine antagonists.

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

248.0 °F - closed cup

flash_point_c

120 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Raman spectroscopic and structural studies of indigo and its four 6,6'-dihalogeno analogues.

Thanasis Karapanayiotis et al.

The Analyst, 129(7), 613-618 (2004-06-24)

The Raman and electron impact mass spectra of synthetic indigo and its four 6,6'-dihalogeno analogues are reported and discussed. The influence of varying the halogen on these Raman spectra is considered. Particular emphasis is laid on distinguishing indigo from 6,6'-dibromoindigo

Monitoring of priority pesticides and other organic pollutants in river water from portugal by gas chromatography-mass spectrometry and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.

D de Almeida Azevedo et al.

Journal of chromatography. A, 879(1), 13-26 (2000-06-28)

Gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (LC-APCI-MS) were optimized and applied for the trace-level determination of 42 priority pesticides and 33 priority organic pollutants from European Union Directive EC 76/464. First, off-line solid-phase extraction

Synthesis of tricyclic indole-2-carboxylic [correction of caboxylic] acids as potent NMDA-glycine antagonists.

S Katayama et al.

The Journal of organic chemistry, 66(10), 3474-3483 (2001-05-12)

The practical synthesis of a series of tricyclic indole-2-carboxylic acids, 7-chloro-3-arylaminocarbonylmethyl-1,3,4,5-tetrahydrobenz[cd]indole-2-carboxylic acids, as a new class of potent NMDA-glycine antagonists is described. The synthetic route to the key intermediate 12a comprises a regioselective iodination of 4-chloro-2-nitrotoluene, modified Reissert indole synthesis

Global Trade Item Number

SKU	GTIN
767905-1G	04061832924397
767905-5G	04061832924403
101702-100G	04061832105895
101702-500G	04061832105901