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Merck
CN

38434

Supelco

N,N′-Diisopropyl-O-(4-nitrobenzyl)isourea

≥90% (CHN)

Synonym(s):

1,3-Diisopropyl-2-(4-nitrobenzyl)isourea, O-(4-Nitrobenzyl)-N,N′-diisopropylisourea, NBDI

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About This Item

Empirical Formula (Hill Notation):
C14H21N3O3
CAS Number:
2978-11-2
Molecular Weight:
279.33
EC Number:
221-027-6
MDL number:
MFCD00042046
UNSPSC Code:
41116105
PubChem Substance ID:
329755763

Key Documents

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grade

derivatization grade ((HPLC))

Assay

≥90% (CHN)

mp

37-40 °C

Amax

9600 at 275 nm (mol. abs.)(lit.)

storage temp.

2-8°C

SMILES string

CC(C)N\C(OCc1ccc(cc1)[N+]([O-])=O)=N/C(C)C

InChI

1S/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)

InChI key

FYDMCLCYYCIDMZ-UHFFFAOYSA-N

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General description

N,N′-Diisopropyl-O-(4-nitrobenzyl)isourea (NBDI) is a derivatizing reagent. It is a strong chromophoric labelling agent which reacts with free carboxylic acids forming p-nitrobenzyl esters in high yields. Thereby giving better sensitivity and selectivity.

Application

NBDI was used as derivatizing agent in a simple HPLC analysis of organic acids, in order to determine the important acid present in port wine and grape musts.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Chromogenic reagent used for liquid chromatographic analysis of carboxylic acids

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311 + H331

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Separation and detection of uv-absorbing derivatives of fecal bile acid metabolites by high-performance liquid chromatography.
B Shaikh et al.
Analytical biochemistry, 85(1), 47-55 (1978-03-01)
D.R. Knapp et al.
Analytical Letters, 8, 603-603 (1975)
Quantification Of Organic Acids In Grape Musts And Port Wines Cuantificacion De Acidos Organicos En Mostos Y Vinos De Oporto Cuantificacion De Acidos Organicos En Mostos E Vi?os De Porto.
Cunha, S. C., et al.
Ciencia y Tecnologia Alimentaria, 3, 212-216 (2002)
A. Zou et al.
Journal of Chromatography A, 410, 217-217 (1987)
Tegan Triggs et al.
Expert opinion on investigational drugs, 29(5), 507-523 (2020-04-16)
Preterm birth is the leading cause of neonatal morbidity and mortality globally and poses a substantial economic burden. Consequently, there is a need for the identification of therapeutic targets and novel experimental drugs for the inhibition of preterm labor to

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