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D193607

Sigma-Aldrich

2,4-Dinitrobenzaldehyde

97%

Synonym(s):

2,4-Dinitrobenzaldehyde

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About This Item

Linear Formula:
(O2N)2C6H3CHO
CAS Number:
528-75-6
Molecular Weight:
196.12
EC Number:
208-440-7
MDL number:
MFCD00013376
UNSPSC Code:
12352100
PubChem Substance ID:
24893575
NACRES:
NA.22

Assay

97%

bp

190 °C/10 mmHg (lit.)

mp

66-70 °C (lit.)

SMILES string

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

InChI

1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H

InChI key

ZILXIZUBLXVYPI-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD5717
BCCD4138
BCBV3864
BCBS1998V
BCBQ4767V

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Metabolism of 2,4-dinitrotoluene, 2,4-dinitrobenzyl alcohol and 2,4-dinitrobenzaldehyde by rat liver microsomal and cytosol fractions.
M Shoji et al.
Chemical & pharmaceutical bulletin, 35(4), 1579-1586 (1987-04-01)
M Sayama et al.
Xenobiotica; the fate of foreign compounds in biological systems, 19(1), 83-92 (1989-01-01)
1. The major biliary metabolite of 2,4-dinitrotoluene (2,4-DNT) in male Wistar rat was 2,4-dinitrobenzyl alcohol glucuronide and the minor metabolites were 2,4-dinitrobenzyl alcohol, 2,4-dinitrobenzaldehyde, 2-acetylamino-4-nitrotoluene, 4-amino-2-nitro(2-amino-4-nitro)benzyl alcohol sulphate, 2,4-dinitrobenzoic acid, 2,4-diacetylaminobenzoic acid and 2-amino-4-nitrobenzoic acid. 2. 2,4-Dinitrobenzyl alcohol, 2,4-dinitrobenzaldehyde, 2,4-dinitrobenzyl
M Sayama et al.
Mutation research, 243(1), 47-52 (1990-01-01)
The mutagenicities and theoretical reactivity indices of 2,4-dinitrobenzaldehyde (2,4-DNBAl) and 2,6-dinitrobenzaldehyde (2,6-DNBAl) were investigated using Salmonella typhimurium strains TA98, TA98NR, TA98/1,8-DNP6, and TA100, TA100NR and TA100/1,8-DNP6, by means of the modified intermediate neglect of differential overlap/3 (MINDO)/3) method. The mutagenic

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