156167

3-Hydroxy-4-nitrobenzaldehyde

97%

Manufacturer: Sigma Aldrich

CAS Number: 704-13-2

Select a Size

Pack Size SKU Availability Price
1 G 156167-1-G In Stock ₹ 2,857.80
10 G 156167-10-G In Stock ₹ 27,495.50

156167 - 1 G

₹ 2,857.80

In Stock

Quantity

1

Base Price: ₹ 2,857.80

GST (18%): ₹ 514.404

Total Price: ₹ 3,372.204

Quality Level

100

Assay

97%

form

solid

mp

127-131 °C (lit.)

SMILES string

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

InChI

1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H

InChI key

AUBBVPIQUDFRQI-UHFFFAOYSA-N

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Description

  • Application: 3-Hydroxy-4-nitrobenzaldehyde is the aldehyde component in a study of an enantioselective thioester aldol reaction. This reaction has been catalyzed by copper(II) triflate in the presence of a chiral bisoxazoline ligand.[1] The product has been used as a chromophoric substrate for probing the catalytic mechanism of horse liver alcohol dehydrogenase.[2]

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

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

Hazard Classifications

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

Target Organs

Respiratory system

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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156167

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Quality Level:
100

Assay:
97%

form:
solid

mp:
127-131 °C (lit.)

SMILES string:
[H]C(=O)c1ccc(c(O)c1)[N+]([O-])=O

InChI:
1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H

InChI key:
AUBBVPIQUDFRQI-UHFFFAOYSA-N

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mp:
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SMILES string:
CCC1(C(=O)NCNC1=O)c2ccccc2

InChI:
1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

InChI key:
DQMZLTXERSFNPB-UHFFFAOYSA-N

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SMILES string:
[Na+].CC[O-]

InChI:
1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1

InChI key:
QDRKDTQENPPHOJ-UHFFFAOYSA-N

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[Na+].C[O-]

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1S/CH3O.Na/c1-2;/h1H3;/q-1;+1

InChI key:
__