4-Nitrobenzoic acid - for synthesis , CAS No.62-23-7

CAS: 62-23-7 Cat. No.: N433134 분자식: C7H5NO4 분자량: 167.12 Beilstein Registry Number: 973593 EC 번호: 200-526-2
주문 가능
GRADE & PURITY for Synthesis ? Synthesis grade — practical purity for chemical synthesis and preparative work. Use as a cost-effective reagent when analytical purity isn't required.
Synonyms
PARA NITROBENZOIC ACID | 4-Nitro benzoic acid | DTXSID3020966 | W-105029 | A8599 | BDBM50405310 | Kyselina p-nitrobenzoova | p-nitro-benzoicacid | 4-Nitrobenzoic acid, purum, >=98.0% (HPLC) | AKOS024268501 | WLN: WNR DVQ | 4-Nitrodracylic acid | STL168880
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
100g
N433134-100g
5 재고 있음
—

US$45.90

US$54.90
저장 US$9.00 (16.39%)
500g
N433134-500g
2 재고 있음
1 재고 있음

US$97.90

US$114.90
저장 US$17.00 (14.80%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

for synthesis 합성을 위해 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 54 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
PARA NITROBENZOIC ACID | 4-Nitro benzoic acid | DTXSID3020966 | W-105029 | A8599 | BDBM50405310 | Kyselina p-nitrobenzoova | p-nitro-benzoicacid | 4-Nitrobenzoic acid, purum, >=98.0% (HPLC) | AKOS024268501 | WLN: WNR DVQ | 4-Nitrodracylic acid | STL168880
사양 및 순도
for synthesis
보관 조건
Room temperature
배송
Normal
등급
합성을 위해
이름과 식별자
Pubchem Sid504751000
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751000
정식 스마일C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
IUPAC Name4-nitrobenzoic acid
InChIKeyOTLNPYWUJOZPPA-UHFFFAOYSA-N
INCHI1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
이성체 SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
WGK 독일 1
RTECS DH5075000
분자량 167.12
Beilstein 973593
Reaxy-Rn 973593
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973593&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
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents Nitrobenzenes  Benzoic acids  Nitroaromatic compounds  Benzoyl derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - 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 - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors nitrobenzoic acid
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상호 작용 화학 구조 모델





관련 대상(인간)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

3 results found

Lot NumberCertificate Type날짜항목
E23231263Certificate of AnalysisMar 11, 2026 N433134
E23231269Certificate of AnalysisMar 11, 2026 N433134
E23231309Certificate of AnalysisMar 11, 2026 N433134
화학 및 물리적 특성
발화점(°F)458.6℉
발화점(°C)237℃
녹는점(°C)242.4°C
분자량167.120 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.022 Da
Monoisotopic Mass167.022 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity190.000
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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