Cyclohexylmethyl isothiocyanate - ≥97% , CAS No.52395-66-1

CAS: 52395-66-1 Cat. No.: C140404 분자식: C8H13NS 분자량: 155.26 EC 번호: 622-930-1
주문 가능
GRADE & PURITY ≥97%
Synonyms
SCHEMBL1448756 | AS-61174 | Cyclohexylmethyl isothiocyanate | DTXSID80200405 | BP-12936 | NSC400136 | NSC-400136 | isothiocyanatomethylcyclohexane | Cyclohexanemethyl isothiocyanate | Cyclohexylmethyl isothiocyanate, 97% | (Isothiocyanatomethyl)cyclohexan
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
1g
C140404-1g
2 재고 있음
—
US$53.90
5g
C140404-5g
2 재고 있음
—
US$207.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% 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
SCHEMBL1448756 | AS-61174 | Cyclohexylmethyl isothiocyanate | DTXSID80200405 | BP-12936 | NSC400136 | NSC-400136 | isothiocyanatomethylcyclohexane | Cyclohexanemethyl isothiocyanate | Cyclohexylmethyl isothiocyanate, 97% | (Isothiocyanatomethyl)cyclohexan
사양 및 순도
≥97%
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
≥97%
이름과 식별자
Pubchem Sid
정식 스마일
C1CCC(CC1)CN=C=S
IUPAC Name
isothiocyanatomethylcyclohexane
InChIKey
RYBJNWIQNLZNPE-UHFFFAOYSA-N
INCHI
1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
이성체 SMILES
C1CCC(CC1)CN=C=S
WGK 독일
3
분자량
155.26
Reaxy-Rn
2079123
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079123&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
SuperclassOrganosulfur compounds
분류Isothiocyanates
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIsothiocyanates
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
TP53 Tchem Cellular tumor antigen p53 (48468 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
D2320540Certificate of AnalysisApr 03, 2023 C140404
D2320559Certificate of AnalysisApr 03, 2023 C140404
화학 및 물리적 특성
감도Heat sensitive ;Moisture sensitive
굴절률1.534
발화점(°F)>230 °F
발화점(°C)>110 °C
끓는점(°C)222-223 °C
분자량155.260 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass155.077 Da
Monoisotopic Mass155.077 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity132.000
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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