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117501

Sigma-Aldrich

2,6-Dinitrobenzaldehyde

98%

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About This Item

Linear Formula:
(O2N)2C6H3CHO
CAS Number:
606-31-5
Molecular Weight:
196.12
Beilstein:
2113951
EC Number:
210-113-9
MDL number:
MFCD00007133
UNSPSC Code:
12352100
PubChem Substance ID:
24847333
NACRES:
NA.22

Assay

98%

form

solid

mp

120-122 °C (lit.)

storage temp.

2-8°C

SMILES string

[H]C(=O)c1c(cccc1[N+]([O-])=O)[N+]([O-])=O

InChI

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

InChI key

WHFZQNNDIJKLIO-UHFFFAOYSA-N

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General description

2,6-Dinitrobenzaldehyde is the major intermediate formed by the combined ozonation of 2,6-dinitrotoluene with hydrogen peroxide and UV radiation.

Application

2,6-Dinitrobenzaldehyde was used in the synthesis of free base tetrakis(2,6-dinitrophenyl) porphyrin.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 5: Self-reactive substances
Nitro compounds
Hazardous rank I
1st self-reactive materials

JAN Code

117501-BULK:
117501-VAR:
117501-250MG:
117501-1G:

Certificates of Analysis (COA)

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Synthesis and spectroscopic characterization of bis-pocket porphyrins: tetrakis (2', 6'-dinitrophenyl) porphyrin and catalytic activity of a manganese (III) chloride derivative in alkane oxidation.
Quintana CA, et al.
Inorganic Chemistry, 28(18), 3421-3425 (1989)
Nitroaromatic hydrocarbon ozonation in water. 2. Combined ozonation with hydrogen peroxide or UV radiation.
Beltran FJ, et al
Industrial & Engineering Chemistry Research, 37(1), 32-40 (1998)
M Mori et al.
Xenobiotica; the fate of foreign compounds in biological systems, 19(7), 731-741 (1989-07-01)
1. Unchanged 2,6-dinitrotoluene (2,6-DNT), 2-amino-6-nitrotoluene, 2,6-dinitrobenzyl alcohol, 2-amino-6-nitrobenzyl alcohol, conjugated 2,6-dinitrobenzyl alcohol and conjugated 2-amino-6-nitrobenzyl alcohol were detected in urine of male Wistar rats dosed with 2,6-DNT. The major metabolite was conjugated 2,6-dinitrobenzyl alcohol, which accounted for about 1.5% of
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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