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428949

Sigma-Aldrich

4-Methyl-3-nitrobenzoyl chloride

99%

Synonyme(s) :

3-Nitro-p-toluoyl chloride

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About This Item

Formule linéaire :
CH3C6H3(NO2)COCl
Numéro CAS:
10397-30-5
Poids moléculaire :
199.59
Numéro CE :
233-858-1
Numéro MDL:
MFCD00035747
Code UNSPSC :
12352100
ID de substance PubChem :
24866825
Nomenclature NACRES :
NA.22

Pureté

99%

Forme

liquid

Indice de réfraction

n20/D 1.581 (lit.)

Point d'ébullition

185 °C/36 mmHg (lit.)

Pf

20-21 °C (lit.)

Densité

1.37 g/mL at 25 °C (lit.)

Chaîne SMILES 

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

InChI

1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3

Clé InChI

DXMHBBURYDVYAI-UHFFFAOYSA-N

Description générale

4-Methyl-3-nitrobenzoyl chloride is a benzoyl chloride derivative. It has been reported to be synthesized from 4-methyl-3-nitrobenzoic acid.

Application

4-Methyl-3-nitrobenzoyl chloride was used in the synthesis of 4-amino-1,5-naphthalenedisulphonate acid monosodium salt, an intermediate employed in the synthesis of modified suramin molecule.
It may be used in the synthesis of the following:
  • benzophenone derivative
  • substituted 3-amino-4-methyl-N-phenylbenzamide
  • retroamide
  • 4-methyl-3-nitro-N-phenylbenzamide

Pictogrammes

Corrosion
GHS05

Mention d'avertissement

Danger

Mentions de danger

H314

Classification des risques

Eye Dam. 1 - Skin Corr. 1B

Code de la classe de stockage

8A - Combustible corrosive hazardous materials

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

235.4 °F - closed cup

Point d'éclair (°C)

113 °C - closed cup

Équipement de protection individuelle

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificats d'analyse (COA)

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M J Ashton et al.
Journal of medicinal chemistry, 39(17), 3343-3356 (1996-08-16)
The synthesis and biological activity of a new series of benzamides and related compounds that upregulate the expression of the low-density lipoprotein (LDL) receptor in human hepatocytes (HepG2 cells) by a novel mechanism are described. The lead compound, N-[5-[(3-cyclohexylpropionyl)amino]-2-methylphenyl]-4-hydroxybe nzamide
Holly L Deak et al.
Bioorganic & medicinal chemistry letters, 18(3), 1172-1176 (2007-12-18)
N-3-(Phenylcarbamoyl)arylpyrimidine-5-carboxamides are a novel class of selective Lck inhibitors. This series of compounds derives its selectivity from a hydrogen bond with the gatekeeper Thr316 of the enzyme. X-ray co-crystal structural data, structure-activity relationships, and the synthesis of these inhibitors are
Shuxin Li et al.
Bioorganic & medicinal chemistry letters, 22(16), 5279-5282 (2012-07-14)
A series of acrylamide analogues were designed and synthesized from Imatinib and Nilotinib as novel BCR-ABL inhibitors by application of the principle of nonclassical electronic isostere. All new compounds were evaluated for their inhibitory effects on the activity of BCR-ABL
Romina Croci et al.
PloS one, 9(3), e91765-e91765 (2014-03-14)
Noroviruses (NV) are +ssRNA viruses responsible for severe gastroenteritis; no effective vaccines/antivirals are currently available. We previously identified Suramin (9) as a potent inhibitor of NV-RNA dependent RNA polymerase (NV-RdRp). Despite significant in vitro activities versus several pharmacological targets, Suramin
Marie-Pierre Lézé et al.
Bioorganic & medicinal chemistry letters, 18(16), 4713-4715 (2008-07-22)
Two new series of benzonitrile derivatives on position 6 or 4 of indole ring were successfully synthesized via a Leimgruber-Batcho reaction. All the compounds were evaluated in vitro on the inhibition of aromatase (CYP19) and 17alpha-hydroxylase-C17,20-lyase (CYP17). The racemate, 4-[(1H-imidazol-1-yl)(1H-indol-4-yl)methyl]benzonitrile

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