m-Nitrotoluene - Standard for GC , CAS No.99-08-1

CAS: 99-08-1 Cat. No.: N105606 분자식: C7H7NO2 분자량: 137.14 Beilstein Registry Number: 1906910 EC 번호: 202-728-6
주문 가능
GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation.
Synonyms
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
Storage
Room temperature
Shipped In
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Size
USA
독일 (EU)*
Price
Qty
5ml
N105606-5ml
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US$23.90

US$32.90
저장 US$9.00 (27.36%)
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Why this grade

Standard for GC Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
사양 및 순도
Standard for GC
보관 조건
Room temperature
배송
FedEx DG Service
등급
Standard for GC
이름과 식별자
Pubchem Sid
정식 스마일
CC1=CC(=CC=C1)[N+](=O)[O-]
IUPAC Name
1-methyl-3-nitrobenzene
InChIKey
QZYHIOPPLUPUJF-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
이성체 SMILES
CC1=CC(=CC=C1)[N+](=O)[O-]
WGK 독일
2
RTECS
XT2975000
UN 번호
1664
포장 그룹
II
분자량
137.14
Beilstein
1906910
Reaxy-Rn
1906910
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906910&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
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)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Plasmodium falciparum (966862 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
G2213074Certificate of AnalysisJun 23, 2022 N105606
G2213076Certificate of AnalysisJun 23, 2022 N105606
화학 및 물리적 특성
동결점(°C)16 °C
굴절률1.54
발화점(°F)208 °F
발화점(°C)98 °C
끓는점(°C)232°C
녹는점(°C)16 °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
Complexity130.000
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
자주 묻는 질문과 기사
Citations of This Product
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