N-(4-Bromophenyl)phthalimide - ≥98% , CAS No.40101-31-3

CAS: 40101-31-3 Cat. No.: N158872 Molecular Weight: 302.13 Beilstein Registry Number: 21(5)10,294 EC Number: 678-166-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
(4-BOC-AMINO-PIPERIDIN-1-YL)-PYRIDIN-3-YL-ACETICACID | N-(p-Bromophenyl)phthalimide | Havero-extra | AI3-01400 | AKOS000175151 | UNII-Q5563GUU8L | AS-63649 | DNQCPYWSXMATIN-UHFFFAOYSA-N | Phthalimide,N-(p-bromophenyl)- | STK266230 | BRN 0189461 | 2-(4-bro
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
N158872-1g
5

$16.90

$25.90
Save $9.00 (34.75%)
5g
N158872-5g
5

$62.90

$94.90
Save $32.00 (33.72%)
25g
N158872-25g
4

$159.90

$239.90
Save $80.00 (33.35%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(4-BOC-AMINO-PIPERIDIN-1-YL)-PYRIDIN-3-YL-ACETICACID | N-(p-Bromophenyl)phthalimide | Havero-extra | AI3-01400 | AKOS000175151 | UNII-Q5563GUU8L | AS-63649 | DNQCPYWSXMATIN-UHFFFAOYSA-N | Phthalimide, N-(p-bromophenyl)- | STK266230 | BRN 0189461 | 2-(4-bro
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488187253
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187253
Canonical SmilesC1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br
IUPAC Name2-(4-bromophenyl)isoindole-1,3-dione
InChIKeyDNQCPYWSXMATIN-UHFFFAOYSA-N
INCHI1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
Isomeric SMILES C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br
RTECS TI4025000
Molecular Weight 302.13
Beilstein 21(5)10,294
Reaxy-Rn 189461
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=189461&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIsoindoles and derivatives
SubclassIsoindolines
Intermediate Tree Nodes Isoindolones
Direct ParentPhthalimides
Alternative Parents Isoindoles  Bromobenzenes  N-substituted carboxylic acid imides  Aryl bromides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phthalimide - Isoindole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

6 results found

Lot NumberCertificate TypeDateItem
D23061851Certificate of AnalysisFeb 16, 2023 N158872
D23061860Certificate of AnalysisFeb 16, 2023 N158872
D23061862Certificate of AnalysisFeb 16, 2023 N158872
D23061863Certificate of AnalysisFeb 16, 2023 N158872
D23061867Certificate of AnalysisFeb 16, 2023 N158872
D23061868Certificate of AnalysisFeb 16, 2023 N158872
Chemical and Physical Properties
Melt Point(°C)206 °C
Molecular Weight302.120 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass300.974 Da
Monoisotopic Mass300.974 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity339.000
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
Solution Calculators
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