3-(3-Nitrophenoxy)propionic acid - ≥95% , CAS No.91004-46-5

CAS: 91004-46-5 Cat. No.: N195770 分子式: C9H9NO5 分子量: 211.17 EC番号: 958-624-2
注文可能
GRADE & PURITY ≥95%
Synonyms
3-(3-NITROPHENOXY)PROPIONICACID | Z240869758 | ghl.PD_Mitscher_leg0.1281 | 3-(3-nitrophenoxy)propanoic acid | FT-0701621 | EN300-37560 | AKOS000133761 | MFCD09049926 | 3-(3-NITROPHENOXY)PROPIONIC ACID | DS-1145 | SY008327 | DTXSID40415679 | Propanoic acid
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
250mg
N195770-250mg
受注生産 · 8~12週間
$39.90
1g
N195770-1g
受注生産 · 8~12週間
$95.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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

同義語
3-(3-NITROPHENOXY)PROPIONICACID | Z240869758 | ghl.PD_Mitscher_leg0.1281 | 3-(3-nitrophenoxy)propanoic acid | FT-0701621 | EN300-37560 | AKOS000133761 | MFCD09049926 | 3-(3-NITROPHENOXY)PROPIONIC ACID | DS-1145 | SY008327 | DTXSID40415679 | Propanoic acid
仕様と純度
≥95%
保管条件
Room temperature
入荷
Normal
純度
≥95%
名前と識別子
カノニカル・スマイル
C1=CC(=CC(=C1)OCCC(=O)O)[N+](=O)[O-]
IUPAC Name
3-(3-nitrophenoxy)propanoic acid
InChIKey
XNYOLXUXRGLEAH-UHFFFAOYSA-N
INCHI
1S/C9H9NO5/c11-9(12)4-5-15-8-3-1-2-7(6-8)10(13)14/h1-3,6H,4-5H2,(H,11,12)
異性体SMILES
C1=CC(=CC(=C1)OCCC(=O)O)[N+](=O)[O-]
分子量
211.17
Reaxy-Rn
2529531
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2529531&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
分類Benzene and substituted derivatives
Subclass3-phenoxypropionic acids
Intermediate Tree Nodes Not available
Direct Parent3-phenoxypropionic acids
Alternative Parents Nitrophenyl ethers  Phenoxy compounds  Phenol ethers  Nitroaromatic compounds  Alkyl aryl ethers  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organonitrogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 3-phenoxypropionic acid - Nitrophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as 3-phenoxypropionic acids. These are aromatic compounds containing a 3-phenoxypropionic acid.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量211.170 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass211.048 Da
Monoisotopic Mass211.048 Da
Topological Polar Surface Area92.400 Ų
Heavy Atom Count15
Formal Charge0
Complexity237.000
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
ソリューション計算機
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