2-Bromo-5-isopropylamino-4-nitroanisole - ≥97% , CAS No.1330750-43-0

CAS: 1330750-43-0 Cat. No.: B181207 Molecular Weight: 289.1
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MFCD19981502 | 4-Bromo-5-methoxy-2-nitro-N-(propan-2-yl)aniline | 4-Bromo-N-isopropyl-5-methoxy-2-nitroaniline | BS-20886 | 2-Bromo-5-isopropylamino-4-nitroanisole | DTXSID00716634 | Benzenamine, 4-bromo-5-methoxy-N-(1-methylethyl)-2-nitro- | 1330750-43-0
Storage
Room temperature
Shipped In
Normal
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Status
Price
Qty
1g
B181207-1g
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$56.90

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5g
B181207-5g
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$209.90

$314.90
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25g
B181207-25g
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$787.90

$1,181.90
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Why this grade

≥97% 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
MFCD19981502 | 4-Bromo-5-methoxy-2-nitro-N-(propan-2-yl)aniline | 4-Bromo-N-isopropyl-5-methoxy-2-nitroaniline | BS-20886 | 2-Bromo-5-isopropylamino-4-nitroanisole | DTXSID00716634 | Benzenamine, 4-bromo-5-methoxy-N-(1-methylethyl)-2-nitro- | 1330750-43-0
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)NC1=CC(=C(C=C1[N+](=O)[O-])Br)OC
IUPAC Name4-bromo-5-methoxy-2-nitro-N-propan-2-ylaniline
InChIKeyQRYSUFDDFZNLLO-UHFFFAOYSA-N
INCHI1S/C10H13BrN2O3/c1-6(2)12-8-5-10(16-3)7(11)4-9(8)13(14)15/h4-6,12H,1-3H3
Isomeric SMILES CC(C)NC1=CC(=C(C=C1[N+](=O)[O-])Br)OC
Molecular Weight 289.1
Reaxy-Rn 40704262
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40704262&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.

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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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Aralkylamines - Phenylalkylamines - Phenylisopropylamines
Direct ParentMethoxyphenylisopropylamines
Alternative Parents Nitrophenyl ethers  Aminophenyl ethers  Methoxyanilines  Anisoles  Phenoxy compounds  Methoxybenzenes  Nitroaromatic compounds  Alkyl aryl ethers  Secondary alkylarylamines  Bromobenzenes  Aryl bromides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organobromides  Organopnictogen compounds  Hydrocarbon derivatives  Organic zwitterions  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Methoxyphenylisopropylamine - Nitrophenyl ether - Aminophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Secondary amine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as methoxyphenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine substituted at one or more ring position with a methoxy group.
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:
Chemical and Physical Properties
Molecular Weight289.130 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.011 Da
Monoisotopic Mass288.011 Da
Topological Polar Surface Area67.100 Ų
Heavy Atom Count16
Formal Charge0
Complexity245.000
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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