Benzylideneaniline - ≥98%(GC)(T) , CAS No.538-51-2

CAS: 538-51-2 Cat. No.: B152653 Molecular Weight: 181.24 EC Number: 208-694-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)(T)
Synonyms
N-Benzylideneaniline | (E)-N-Benzylideneaniline | N-Benzalaniline | Benzylideneaniline | N-(phenylmethylene)benzenamine
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
B152653-5g
4

$25.90

$38.90
Save $13.00 (33.42%)
25g
B152653-25g
4

$63.90

$95.90
Save $32.00 (33.37%)
100g
B152653-100g
1

$249.90

$374.90
Save $125.00 (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(GC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-Benzylideneaniline | (E)-N-Benzylideneaniline | N-Benzalaniline | Benzylideneaniline | N-(phenylmethylene)benzenamine
Specifications & Purity
≥98%(GC)(T)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)(T)
Names and Identifiers
Pubchem Sid488181202
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181202
Canonical SmilesC1=CC=C(C=C1)C=NC2=CC=CC=C2
IUPAC NameN,1-diphenylmethanimine
InChIKeyUVEWQKMPXAHFST-UHFFFAOYSA-N
INCHI1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
Isomeric SMILES C1=CC=C(C=C1)C=NC2=CC=CC=C2
Alternate CAS 1750-36-3
Molecular Weight 181.24
Reaxy-Rn 386547
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386547&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
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Shiff bases  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

14 results found

Lot NumberCertificate TypeDateItem
H2127099Certificate of AnalysisJun 09, 2025 B152653
A2509149Certificate of AnalysisJul 01, 2024 B152653
G2308012Certificate of AnalysisJul 13, 2023 B152653
G2308014Certificate of AnalysisJul 13, 2023 B152653
G2308015Certificate of AnalysisJul 13, 2023 B152653
G2308017Certificate of AnalysisJul 13, 2023 B152653
G2308019Certificate of AnalysisJul 13, 2023 B152653
G2308068Certificate of AnalysisJul 13, 2023 B152653
D2325929Certificate of AnalysisMay 16, 2023 B152653
D2325945Certificate of AnalysisMay 16, 2023 B152653
B2515059Certificate of AnalysisMay 16, 2023 B152653
B2624303Certificate of AnalysisMay 16, 2023 B152653
D2325912Certificate of AnalysisMay 16, 2023 B152653
D2325914Certificate of AnalysisMay 16, 2023 B152653

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Chemical and Physical Properties
SolubilitySoluble in water (partly), methanol, chloroform, alcohol, and acetic anhydride.
Boil Point(°C)300 °C
Melt Point(°C)52 °C
Molecular Weight181.230 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass181.089 Da
Monoisotopic Mass181.089 Da
Topological Polar Surface Area12.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity174.000
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
Citations of This Product
References
1. Wuhou Fan, Yong Jin, Liangjie Shi, Rong Zhou, Weining Du.  (2020)  Developing visible-light-induced dynamic aromatic Schiff base bonds for room-temperature self-healable and reprocessable waterborne polyurethanes with high mechanical properties.  Journal of Materials Chemistry A,  (14): (6757-6767).  [PMID:] [10.1039/C9TA13928A]
2. Huimin Yi, Chenyi Wang, Baoxin Ge, Fangjie Xu, Pengyang Jiang, Min Zhou, Fangshu Xing, Caijin Huang.  (2025)  Engineering Atomic Sites and Proton Transfer Microenvironments for Bioinspired Photocatalytic Alcohol-Amine Coupling.  Small,      [PMID:40116587] [10.1002/smll.202500253]
3. Xue-hui Ge, Xu Li, Li-lin Li, Jie Chen, Yu-lai Zhao.  (2024)  Photoresponsive microfluidic three-phase emulsions for tandem reactions.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2024.120689]
Solution Calculators
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