4-Cyanoindole - ≥98% , CAS No.16136-52-0

CAS: 16136-52-0 Cat. No.: C107982 分子式: C9H6N2 分子量: 142.16 Beilstein Registry Number: 22(5)3,43 EC番号: 627-196-6
注文可能
GRADE & PURITY ≥98%
Synonyms
F8880-2243 | SCHEMBL403956 | STK501410 | 1H-indole-4-carbonitrile | AC-7408 | C2083 | PS-5557 | Q-102573 | indole-4-carbonitrile | EN300-116586 | SY006074 | 4-Cyanoindole | C-8800 | CEUFGDDOMXCXFW-UHFFFAOYSA- | CEUFGDDOMXCXFW-UHFFFAOYSA-N | InChI=1/C9H6N2
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
C107982-1g
2 在庫あり
—

$9.90

$14.90
保存 $5.00 (33.56%)
5g
C107982-5g
3 在庫あり
—

$11.90

$17.90
保存 $6.00 (33.52%)
10g
C107982-10g
受注生産 · 8~12週間

$14.90

$22.90
保存 $8.00 (34.93%)
25g
C107982-25g
3 在庫あり
—

$36.90

$55.90
保存 $19.00 (33.99%)
100g
C107982-100g
1 在庫あり
—

$133.90

$200.90
保存 $67.00 (33.35%)
500g
C107982-500g
1 在庫あり
—

$667.90

$1,001.90
保存 $334.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.

概要

Reactant for preparation of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators
Reactant for stereoselective preparation of γ-lactones via prolinol silyl ether catalyzed Friedel-Crafts alkylation reaction
Reactant for iridium-catalyzed borylation reactions
Reactant for parallel synthesis of N-benzylisatin oximes as JNK3 MAP kinase inhibitors
Reactant for preparation of N-aryl indoles
Reactant for preparation of conformationally restricted indole cyclopropylmethylamines as selective serotonin reuptake inhibitors

Specifications

同義語
F8880-2243 | SCHEMBL403956 | STK501410 | 1H-indole-4-carbonitrile | AC-7408 | C2083 | PS-5557 | Q-102573 | indole-4-carbonitrile | EN300-116586 | SY006074 | 4-Cyanoindole | C-8800 | CEUFGDDOMXCXFW-UHFFFAOYSA- | CEUFGDDOMXCXFW-UHFFFAOYSA-N | InChI=1/C9H6N2
仕様と純度
≥98%
保管条件
Store at -20°C,Argon charged
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥98%
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504762747
カノニカル・スマイル
C1=CC(=C2C=CNC2=C1)C#N
IUPAC Name
1H-indole-4-carbonitrile
InChIKey
CEUFGDDOMXCXFW-UHFFFAOYSA-N
INCHI
1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
異性体SMILES
C1=CC(=C2C=CNC2=C1)C#N
WGKドイツ
3
UN番号
3439
包装グループ
III
分子量
142.16
Beilstein
22(5)3,43
Reaxy-Rn
120893
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120893&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
SuperclassOrganoheterocyclic compounds
分類Indoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct ParentIndoles
Alternative Parents Benzenoids  Pyrroles  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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.

10 results found

Lot NumberCertificate Type日付商品
B2209010Certificate of AnalysisOct 30, 2025 C107982
B2209568Certificate of AnalysisOct 30, 2025 C107982
G2419299Certificate of AnalysisApr 02, 2024 C107982
G2419300Certificate of AnalysisApr 02, 2024 C107982
J1424028Certificate of AnalysisJul 20, 2022 C107982
C1827125Certificate of AnalysisJan 21, 2022 C107982
C1827126Certificate of AnalysisJan 21, 2022 C107982
B2209014Certificate of AnalysisJan 04, 2022 C107982
H2527070Certificate of AnalysisJan 04, 2022 C107982
L2409124Certificate of AnalysisJan 04, 2022 C107982
化学的性質と物理的性質
溶解度Soluble in water.
感度Light Sensitive,Air Sensitive
融点(°C)117-121°C
分子量142.160 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.053 Da
Monoisotopic Mass142.053 Da
Topological Polar Surface Area39.600 Ų
Heavy Atom Count11
Formal Charge0
Complexity191.000
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
よくある質問と記事
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よくある質問

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 16136-52-0, the molecular formula is C9H6N2, and the molecular weight is 142.16 g/mol. InChIKey CEUFGDDOMXCXFW-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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