Nitrobenzene - Premium-Grade Reagents, ≥99% , CAS No.98-95-3

CAS: 98-95-3 Cat. No.: N116217 분자식: C6H5NO2 분자량: 123.11 Beilstein Registry Number: 507540 EC 번호: 202-716-0
주문 가능
등급 & 순도 Premium-Grade Reagents ? Premium-grade reagents with enhanced purity and tighter QC than standard grades. Use for demanding applications needing extra consistency. ≥99%
Synonyms
NITROBENZENE|nitro-Benzene|Nitrobenzene [UN1662] [Poison]|nitro benzene|mono nitro benzene|Nitrobenzeen|NITROBENZENE [IARC]|ghl.PD_Mitscher_leg0.646|Mononitrol benzol|1-nitrobenzene|Nitrobenzen [Polish]|p-Nitrobenzene|NITROBENZENE [HSDB]|PhNO2|Mononitrobenzene|p-Nitrophenyl|NITROBENZENE, LIQUID|BENZENE,NITRO|BENZENE-NO2|Benzene, nitro-|NITRO-15N-BENZENE|Nitrobenzol, liquid(DOT)|RCRA waste number U169|USEPA/OPP Pesticide Code: 056501|NITROBENZENE (MART.)|Pnp, p-nitrophenol|RCRA waste no. U169|Nigrosine spirit soluble B|Essence of mirbane|Nitrobenzeen(DUTCH)|Hydroxy(phenyl)azane oxide (ACD/Name 4.0)|4-nitrobenzene|NBZ|NITROBENZENE (13C6)|3-nitrobenzene|NITROBENZENE [MART.]|Essence of Myrbane|NITROBENZENE (IARC)|Nitrobenzol|NITROBENZENE [MI]|Nitrobenzol, liquid
Storage
Room temperature
Shipped In
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USA
독일 (EU)*
가격
수량
500ml
N116217-500ml
주문제작 · 8~12주
US$33.90
12×500ml
N116217-12×500ml
주문제작 · 8~12주
US$312.90
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개요

Nitrobenzene is an organic compound used a standard for detection and analyses as well as its removal from the environment. The compound’s cytotoxic effects have been studied in a hepatocarcinoma cell line.

사양

동의어
NITROBENZENE | nitro-Benzene | Nitrobenzene [UN1662] [Poison] | nitro benzene | mono nitro benzene | Nitrobenzeen | NITROBENZENE [IARC] | ghl.PD_Mitscher_leg0.646 | Mononitrol benzol | 1-nitrobenzene | Nitrobenzen [Polish] | p-Nitrobenzene | NITROBENZENE [HSDB] | PhNO2 | Mononitrobenzene | p-Nitrophenyl | NITROBENZENE, LIQUID | BENZENE,N Show more
사양 및 순도
Premium-Grade Reagents, ≥99%
보관 조건
Room temperature
배송
FedEx DG Service
등급
Premium-Grade Reagents
순수함
≥99%
이름과 식별자
정식 스마일
C1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name
nitrobenzene
InChIKey
LQNUZADURLCDLV-UHFFFAOYSA-N
INCHI
1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
이성체 SMILES
C1=CC=C(C=C1)[N+](=O)[O-]
WGK 독일
2
RTECS
DA6475000
UN 번호
1662
포장 그룹
II
분자량
123.11
Beilstein
507540
Reaxy-Rn
507540
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507540&ln=

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors an aromatic compound
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSR Tclin Glutathione reductase (335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lithobates pipiens (29 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
E Lysozyme (95 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.

14 results found

Lot NumberCertificate Type날짜항목
C2610005C2610005Certificate of AnalysisJan 29, 2026 N116217
C2610216C2610216Certificate of AnalysisJan 29, 2026 N116217
G2517335G2517335Certificate of AnalysisJul 04, 2025 N116217
L2023021L2023021Certificate of AnalysisOct 14, 2024 N116217
L2014115L2014115Certificate of AnalysisOct 14, 2024 N116217
H2426489H2426489Certificate of AnalysisSep 02, 2024 N116217
C2412585C2412585Certificate of AnalysisMar 30, 2024 N116217
I2320382I2320382Certificate of AnalysisOct 10, 2023 N116217
E23121110E23121110Certificate of AnalysisMay 23, 2023 N116217
C2329653C2329653Certificate of AnalysisApr 12, 2023 N116217
B2320398B2320398Certificate of AnalysisFeb 28, 2023 N116217
K2201060K2201060Certificate of AnalysisNov 08, 2022 N116217
G2229364G2229364Certificate of AnalysisJul 20, 2022 N116217
G2229366G2229366Certificate of AnalysisJul 20, 2022 N116217
화학 및 물리적 특성
감도Light sensitive.
굴절률1.5529
발화점(°C)88℃
끓는점(°C)210-211°C
녹는점(°C)6°C
분자량123.110 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.032 Da
Monoisotopic Mass123.032 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count9
Formal Charge0
Complexity102.000
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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