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380059

4-氯-3-硝基苯甲腈

Name: 4-氯-3-硝基苯甲腈
Brand: ALDRICH

97%

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关于此项目

线性分子式:

ClC₆H₃(NO₂)CN

化学文摘社编号:

939-80-0

分子量:

182.56

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24863715

EC Number:

213-364-2

Beilstein/REAXYS Number:

1639111

MDL number:

MFCD00016987

Assay:

97%

Form:

powder

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属性

assay

97%

form

powder

mp

98-100 °C (lit.)

functional group

chloro, nitrile, nitro

SMILES string

[O-][N+](=O)c1cc(ccc1Cl)C#N

InChI

1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

InChI key

XBLPHYSLHRGMNW-UHFFFAOYSA-N

说明

General description

FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm^-1and 100-4000cm^-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.

Application

4-Chloro-3-nitrobenzonitrile may be employed for the radiosynthesis of analogs of serotonin transporter (SERT) ligands for use in positron emission tomography (PET) studies and for the preparation of N-(4-cyano-2-nitrophenyl)glycine.

4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity.

Galina R Demina et al.

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Resuscitation promoting factors (RPF) are secreted proteins involved in reactivation of dormant actinobacteria, including Mycobacterium tuberculosis. They have been considered as prospective targets for the development of new anti-tuberculosis drugs preventing reactivation of dormant tubercle bacilli, generally associated with latent

4-Chloro-3-nitro-benzonitrile.

Bo-Nian Liu et al.

Acta crystallographica. Section E, Structure reports online, 65(Pt 1), o92-o92 (2008-01-01)

In the title compound, C(7)H(3)ClN(2)O(2), the Cl, C and N atoms are coplanar with the aromatic ring. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. The π-π contact between the benzene rings, [centroid-centroid distances

Structure-activity relationships of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones: potent and systemically active antagonists for the glycine site of the NMDA receptor.

S X Cai et al.

Journal of medicinal chemistry, 40(5), 730-738 (1997-02-28)

We report on a series of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones (QXs), prepared as a continuation of our structure-activity relationship (SAR) study of QXs as antagonists for the glycine site of the N-methyl-D-aspartate (NMDA) receptor. The in vitro potency of these

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全球贸易项目编号

货号	GTIN
380059-25G	04061832099804
380059-5G	04061832089003