p-Nitrotoluene - Melting point standard , CAS No.99-99-0

CAS: 99-99-0 Cat. No.: N119545 분자식: C7H7NO2 분자량: 137.14 Beilstein Registry Number: 1906911 EC 번호: 202-808-0
주문 가능
등급 & 순도 Melting point standard ? Melting-point standard — certified material with a known, sharp melting point. Use to calibrate and verify melting-point apparatus.
Synonyms
4-NITROPHENYLMETHANE | p-Methylnitrobenzene | 4-Methylnitrobenzene | CCRIS 2313 | NCGC00259015-01 | SCHEMBL7147554 | Z104476692 | p-Nitrotoluene | BS-42204 | EC 202-808-0 | F0001-2342 | NCGC00090790-02 | 4-Nitrotoluene, purum, >=98.0% (GC) | E88IMG14EX |
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N119545-2g
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Melting point standard Melting point standard 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Room temperature FedEx DG Service 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 82편에서 인용되었습니다.

사양

동의어
4-NITROPHENYLMETHANE | p-Methylnitrobenzene | 4-Methylnitrobenzene | CCRIS 2313 | NCGC00259015-01 | SCHEMBL7147554 | Z104476692 | p-Nitrotoluene | BS-42204 | EC 202-808-0 | F0001-2342 | NCGC00090790-02 | 4-Nitrotoluene, purum, >=98.0% (GC) | E88IMG14EX |
사양 및 순도
Melting point standard
보관 조건
Room temperature
배송
FedEx DG Service
등급
Melting point standard
이름과 식별자
Pubchem Sid
정식 스마일
CC1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name
1-methyl-4-nitrobenzene
InChIKey
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
이성체 SMILES
CC1=CC=C(C=C1)[N+](=O)[O-]
WGK 독일
2
RTECS
XT3325000
UN 번호
1664
포장 그룹
II
분자량
137.14
Beilstein
1906911
Reaxy-Rn
1906911
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906911&ln=

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

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📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

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🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitrotoluenes  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 - Nitrotoluene - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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 a small molecule
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ACHE Tclin Acetylcholinesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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관련 대상(비인간)
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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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.

2 results found

Lot NumberCertificate Type날짜항목
I2306747I2306747Certificate of AnalysisJun 11, 2025 N119545
H1809086H1809086Certificate of AnalysisMay 07, 2022 N119545
화학 및 물리적 특성
굴절률1.5332
발화점(°C)106℃
끓는점(°C)238°C
녹는점(°C)53-54°C
분자량137.140 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.048 Da
Monoisotopic Mass137.048 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity122.000
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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