3-Chlorophenyl isothiocyanate - ≥98% , CAS No.2392-68-9

CAS: 2392-68-9 Cat. No.: C140586 분자식: C7H4ClNS 분자량: 169.64 Beilstein Registry Number: 636856 EC 번호: 627-851-6
주문 가능
GRADE & PURITY ≥98%
Synonyms
3-Chlorophenyl isothiocyanate|2392-68-9|1-Chloro-3-isothiocyanatobenzene|3-Chlorophenylisothiocyanate|Benzene, 1-chloro-3-isothiocyanato-|Isothiocyanic acid, 3-chlorophenyl ester|Isothiocyanic acid, m-chlorophenyl ester|1-Chloro-3-isothiocyanato-benzene|m
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
5g
C140586-5g
1 재고 있음
—
US$34.90
25g
C140586-25g
2 재고 있음
—
US$104.90
100g
C140586-100g
1 재고 있음
—
US$376.90
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 2-8°C,Argon charged 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

3-Chlorophenyl isothiocyanate has been used in the synthesis of: . 2-[(3-chlorophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-i]pyrimidin-5-one . (S)-N-[3-{N-(3-chlorophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide

Specifications

동의어
3-Chlorophenyl isothiocyanate | 2392-68-9 | 1-Chloro-3-isothiocyanatobenzene | 3-Chlorophenylisothiocyanate | Benzene, 1-chloro-3-isothiocyanato- | Isothiocyanic acid, 3-chlorophenyl ester | Isothiocyanic acid, m-chlorophenyl ester | 1-Chloro-3-isothiocyanato-benzene | m
사양 및 순도
≥98%
보관 조건
Store at 2-8°C,Argon charged
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508808915
정식 스마일
C1=CC(=CC(=C1)Cl)N=C=S
IUPAC Name
1-chloro-3-isothiocyanatobenzene
InChIKey
WGXCKFMVBAOIFH-UHFFFAOYSA-N
INCHI
1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
이성체 SMILES
C1=CC(=CC(=C1)Cl)N=C=S
WGK 독일
3
RTECS
NX8474500
UN 번호
2810
포장 그룹
II
분자량
169.64
Beilstein
636856
Reaxy-Rn
636856
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636856&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
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents Aryl chlorides  Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Chlorobenzene - Aryl halide - Aryl chloride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





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.

4 results found

Lot NumberCertificate Type날짜항목
C2223288Certificate of AnalysisJan 19, 2026 C140586
C2223295Certificate of AnalysisJan 19, 2026 C140586
C2223299Certificate of AnalysisJan 19, 2026 C140586
D1726106Certificate of AnalysisNov 04, 2024 C140586
화학 및 물리적 특성
감도Moisture Sensitive
굴절률1.6585
발화점(°F)>230°F
발화점(°C)>110℃
끓는점(°C)249-250℃
분자량169.630 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.975 Da
Monoisotopic Mass168.975 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity154.000
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
Citations of This Product
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