2,3-Dihydro-1-methyl-5-nitro-1H-indole - ≥95% , CAS No.18711-25-6

CAS: 18711-25-6 Cat. No.: M696109 분자식: C9H10N2O2 분자량: 178.19 PubChem CID: 167738
주문 가능
GRADE & PURITY ≥95%
Synonyms
1-Methyl-5-nitroindoline | 1H-Indole, 2,3-dihydro-1-methyl-5-nitro-
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
50mg
M696109-50mg
주문제작 · 8~12주
US$19.90
250mg
M696109-250mg
주문제작 · 8~12주
US$76.90
1g
M696109-1g
주문제작 · 8~12주
US$185.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
1-Methyl-5-nitroindoline | 1H-Indole, 2,3-dihydro-1-methyl-5-nitro-
사양 및 순도
≥95%
보관 조건
Store at 2-8°C
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥95%
제품 특성
ALogP
1.9
이름과 식별자
정식 스마일
CN1CCC2=C1C=CC(=C2)[N+](=O)[O-]
IUPAC Name
1-methyl-5-nitro-2,3-dihydroindole
InChIKey
VNTWOKSFYDNPED-UHFFFAOYSA-N
INCHI
1S/C9H10N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-3,6H,4-5H2,1H3
이성체 SMILES
CN1CCC2=C1C=CC(=C2)[N+](=O)[O-]
PubChem CID
167738
분자량
178.19

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
SuperclassOrganoheterocyclic compounds
분류Indoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Nitroaromatic compounds  Dialkylarylamines  Aralkylamines  Benzenoids  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Benzenoid - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량178.190 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass178.074 Da
Monoisotopic Mass178.074 Da
Topological Polar Surface Area49.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity214.000
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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