p-Nitrobenzaldehyde - AR, ≥97%(GC) , CAS No.555-16-8

CAS: 555-16-8 Cat. No.: N104181 Formula: C7H5NO3 Molecular Weight: 151.13 Beilstein Registry Number: 386796 EC Number: 209-084-5
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GRADE & PURITY AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥97%(GC)
Synonyms
4-Nitrobenzaldehyde, Vetec(TM) reagent grade, 98% | A15647 | EINECS 209-084-5 | 4-Nitrobenzaldehyde; Chloramphenicol Impurity B | CCRIS 1675 | EN300-18420 | FT-0619200 | CHEBI:66926 | STR00898 | UNII-NX859P8MB0 | Z57772464 | 4-nitrobenz aldehyde | AB-131/
Storage
Argon charged,Room temperature
Shipped In
Normal
★
Size
Germany (EU)
USA*
Price
Qty
5g
N104181-5g
—
6 In stock
€8.59
10g
N104181-10g
—
4 In stock
€9.46
25g
N104181-25g
—
3 In stock

€12.93

€19.87
Save €6.94 (34.93%)
100g
N104181-100g
—
6 In stock

€34.62

€51.98
Save €17.35 (33.39%)
250g
N104181-250g
—
3 In stock

€49.37

€74.54
Save €25.16 (33.76%)
500g
N104181-500g
—
1 In stock

€64.13

€96.23
Save €32.11 (33.36%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

AR, ≥97%(GC) AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 79 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-Nitrobenzaldehyde, Vetec(TM) reagent grade, 98% | A15647 | EINECS 209-084-5 | 4-Nitrobenzaldehyde; Chloramphenicol Impurity B | CCRIS 1675 | EN300-18420 | FT-0619200 | CHEBI:66926 | STR00898 | UNII-NX859P8MB0 | Z57772464 | 4-nitrobenz aldehyde | AB-131/
Specifications & Purity
AR, ≥97%(GC)
Storage
Argon charged,Room temperature
Shipped In
Normal
Grade
AR
Purity
≥97%(GC)
Names and Identifiers
Pubchem Sid488179527
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179527
Canonical SmilesC1=CC(=CC=C1C=O)[N+](=O)[O-]
IUPAC Name4-nitrobenzaldehyde
InChIKeyBXRFQSNOROATLV-UHFFFAOYSA-N
INCHI1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
Isomeric SMILES C1=CC(=CC=C1C=O)[N+](=O)[O-]
WGK Germany 2
RTECS CU7350000
Molecular Weight 151.13
Beilstein 386796
Reaxy-Rn 386796
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386796&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzaldehydes
Alternative Parents Nitroaromatic compounds  Benzoyl derivatives  Benzaldehydes  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLC6A1 Tclin GABA transporter 1 (308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPO Tchem Myeloperoxidase (1002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH3A1 Tchem Aldehyde dehydrogenase dimeric NADP-preferring (307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania amazonensis (3813 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16-F10 (4610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

32 results found

Lot NumberCertificate TypeDateItem
G2103054Certificate of AnalysisSep 21, 2026 N104181
K2427553Certificate of AnalysisSep 04, 2026 N104181
K2427551Certificate of AnalysisSep 04, 2026 N104181
G2514468Certificate of AnalysisApr 14, 2025 N104181
G2514465Certificate of AnalysisApr 14, 2025 N104181
G2514464Certificate of AnalysisApr 14, 2025 N104181
G2514463Certificate of AnalysisApr 14, 2025 N104181
G2514466Certificate of AnalysisApr 14, 2025 N104181
G2514467Certificate of AnalysisApr 14, 2025 N104181
G2617044Certificate of AnalysisApr 14, 2025 N104181
G2103055Certificate of AnalysisJan 13, 2025 N104181
K2427552Certificate of AnalysisNov 16, 2024 N104181
K2427554Certificate of AnalysisNov 16, 2024 N104181
E1906017Certificate of AnalysisSep 13, 2024 N104181
F2506645Certificate of AnalysisJul 01, 2024 N104181
F2506648Certificate of AnalysisJul 01, 2024 N104181
L2011120Certificate of AnalysisJun 15, 2024 N104181
L2115355Certificate of AnalysisSep 20, 2023 N104181
L1713120Certificate of AnalysisMay 08, 2023 N104181
E2324624Certificate of AnalysisApr 21, 2023 N104181
E2417066Certificate of AnalysisApr 21, 2023 N104181
E2324687Certificate of AnalysisApr 21, 2023 N104181
E2324684Certificate of AnalysisApr 21, 2023 N104181
E2324682Certificate of AnalysisApr 21, 2023 N104181
E2324681Certificate of AnalysisApr 21, 2023 N104181
E2324680Certificate of AnalysisApr 21, 2023 N104181
E2324679Certificate of AnalysisApr 21, 2023 N104181
E2324653Certificate of AnalysisApr 21, 2023 N104181
E2324651Certificate of AnalysisApr 21, 2023 N104181
G2103057Certificate of AnalysisApr 12, 2023 N104181
G2103053Certificate of AnalysisMay 27, 2021 N104181
H2203039Certificate of AnalysisMay 27, 2021 N104181
Chemical and Physical Properties
SolubilitySoluble in water, ethanol, benzene, glacial acetic acid. Slightly soluble in ether.
SensitivityAir Sensitive
x_melt_point_char102-106°C
Molecular Weight151.120 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.027 Da
Monoisotopic Mass151.027 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count11
Formal Charge0
Complexity156.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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