Ethyl Isothiocyanate - ≥95%(GC) , CAS No.542-85-8

CAS: 542-85-8 Cat. No.: E140613 Peso molecular: 87.14 Beilstein Registry Number: 1737705 Número EC: 208-831-2
Disponible para pedir
GRADE & PURITY ≥95%(GC)
Synonyms
CHEBI:85098 | FT-0627522 | Ethane, isothiocyanato- | ETHYL ISOTHIOCYANATE [MI] | STL194264 | Isothiocyanic acid, ethyl ester | EN300-19657 | AKOS000119775 | EINECS 208-831-2 | ETHYLISOTHIOCYANATE | ethylisothio-cyanate | D94745 | ETHYL ISOTHIOCYANATE [FHF
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5ml
E140613-5ml
4
11,90US$
25ml
E140613-25ml
5
42,90US$
100ml
E140613-100ml
3
153,90US$
500ml
E140613-500ml
3
692,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
CHEBI:85098 | FT-0627522 | Ethane, isothiocyanato- | ETHYL ISOTHIOCYANATE [MI] | STL194264 | Isothiocyanic acid, ethyl ester | EN300-19657 | AKOS000119775 | EINECS 208-831-2 | ETHYLISOTHIOCYANATE | ethylisothio-cyanate | D94745 | ETHYL ISOTHIOCYANATE [FHF
Especificaciones y pureza
≥95%(GC)
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Enviado en
Normal
Pureza
≥95%(GC)
Nombres e identificadores
Pubchem Sid504752038
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752038
Sonrisas canónicasCCN=C=S
IUPAC Nameisothiocyanatoethane
InChIKeyHBNYJWAFDZLWRS-UHFFFAOYSA-N
INCHI1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
Isómeros SMILES CCN=C=S
WGK Alemania 3
RTECS NX8590000
Peso molecular 87.14
Beilstein 1737705
Reaxy-Rn 1737705
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737705&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
ClaseIsothiocyanates
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 acyclic 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 acyclic compound
DescripciónThis 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 isothiocyanate
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
Pectobacterium carotovorum (295 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhizoctonia solani (2251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sclerotinia sclerotiorum (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

18 results found

Lot NumberCertificate TypeFechaArticulo
K2105425Certificate of AnalysisAug 19, 2025 E140613
I2126098Certificate of AnalysisJul 15, 2025 E140613
C1701093Certificate of AnalysisOct 12, 2024 E140613
J2010104Certificate of AnalysisAug 20, 2024 E140613
J2010105Certificate of AnalysisAug 20, 2024 E140613
I2424325Certificate of AnalysisJun 26, 2024 E140613
I2424326Certificate of AnalysisJun 26, 2024 E140613
I2424328Certificate of AnalysisJun 26, 2024 E140613
I2424321Certificate of AnalysisJun 26, 2024 E140613
I2424322Certificate of AnalysisJun 26, 2024 E140613
J2411639Certificate of AnalysisJun 26, 2024 E140613
L2522103Certificate of AnalysisNov 07, 2022 E140613
K2230737Certificate of AnalysisNov 07, 2022 E140613
K2230640Certificate of AnalysisNov 07, 2022 E140613
K2230588Certificate of AnalysisNov 07, 2022 E140613
K2230587Certificate of AnalysisNov 07, 2022 E140613
I2511125Certificate of AnalysisNov 07, 2022 E140613
I1825126Certificate of AnalysisJul 21, 2022 E140613

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Propiedades químicas y físicas
SolubilidadReacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.
SensibilidadMoisture Sensitive
Índice de refracción1.511
Punto de inflamación (°F)75.2°F
Punto de inflamación (°C)24°C
Punto de ebullición (°C)132°C
Punto de fusión (°C)-6℃
Peso molecular87.150 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass87.0143 Da
Monoisotopic Mass87.0143 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count5
Formal Charge0
Complexity53.900
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
Referencias
1. Yubo Wu, Xiaoxu Deng, Ruirui Cui, Meiyang Song, Xiang Guo, Xingyong Gong, Jie He, Peng Chen.  (2023)  Electronic configuration inversion in CdIn2S4 for efficient photocatalytic hydrogen peroxide generation coupled with selective benzylamine oxidation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38007944] [10.1016/j.jcis.2023.11.118]
2. Chen Zichun, Su Tongming, Luo Xuan, Qin Zuzeng, Ji Hongbing.  (2023)  Preparation of CuFe2O4/In2S3 composite for photocatalytic degradation of tetracycline under visible light irradiation.  Reaction Kinetics Mechanisms and Catalysis,      [PMID:] [10.1007/s11144-023-02539-0]
3. Fangwei Qi, Huixing Li, Gang Chen, Shuping Peng, Xingrui Luo, Shiyu Xiong, Hua Zhu, Cijun Shuai.  (2023)  A CuS@g-C3N4 heterojunction endows scaffold with synergetic antibacterial effect.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:37595378] [10.1016/j.colsurfb.2023.113512]
4. Jiafeng Xi, Xiaojuan Liu, Liang Zhang, Zuwang Zhang, Junchen Zhuo, Ting Du, Yajie Zhang, Jinyou Duan, Hongliang Dong, Jianlong Wang.  (2023)  Engineering of Schottky heterojunction in Ru@Bi2S3/Nb2C MXene based on work function with enhanced carrier separation for promoted sterilization.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145169]
5. Jie Liu, Linye Ji, Junyi Yu, Shanjun Ding, Suibin Luo, Baojin Chu, Jianbin Xu, Rong Sun, Shuhui Yu.  (2022)  Enhanced breakdown strength and electrostatic energy density of polymer nanocomposite films realized by heterostructure ZnO-ZnS nanoparticles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140950]
6. Peng Long, Qiang Xu, Gang Peng, Xiayin Yao, Xiaoxiong Xu.  (2016)  NiS Nanorods as Cathode Materials for All-Solid-State Lithium Batteries with Excellent Rate Capability and Cycling Stability.  ChemElectroChem,  (5): (764-769).  [PMID:] [10.1002/celc.201500570]
7. Min Wang, Haitao Zhao, Limin Zhao, Jianmin Dou, Xingliang Yin.  (2024)  Constructing GO films/CdS nanoparticles/MoS2 nanosheets ternary nanojunction with enhanced photocatalytic hydrogen evolution activity.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.134900]
8. Jing Wang, Xingyu Niu, Rui Wang, Kun Zhang, Xinyi Shi, Hui Ying Yang, Jilei Ye, Yuping Wu.  (2024)  High-entropy alloy-enhanced ZnCdS nanostructure photocatalysts for hydrogen production.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2024.124763]
9. Yunqi Ning, Shan Wang, Hanbing Wang, Wei Quan, Daqi Lv, Shansheng Yu, Xiaoying Hu, Hongwei Tian.  (2024)  Novel hollow core-shell Zn0.5Cd0.5S@ZnIn2S4/MoS2 nanocages with Z-scheme heterojunction for enhanced photocatalysis of hydrogen generation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38382376] [10.1016/j.jcis.2024.02.082]
10. Ziyi Li, Jia Xiong, Yufei Huang, Yangqiang Huang, Geoffrey I.N. Waterhouse, Ziyun Wang, Yu Mao, Zhiwu Liang, Xiao Luo.  (2024)  Rational design of spatial charge separation and targeted active site Cu for highly selective photocatalytic CO2 reduction to CH4.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153310]
11. Hanbing Wang, Yunqi Ning, Qi Tang, Xueyang Li, Mengdi Hao, Qun Wei, Tingting Zhao, Daqi Lv, Hongwei Tian.  (2024)  Ultrathin 2D/2D ZnIn2S4/La2Ti2O7 nanosheets with Z-scheme heterojunction for enhanced photocatalytic hydrogen evolution.  DALTON TRANSACTIONS,      [PMID:39069951] [10.1039/D4DT01559B]
12. Wenbin Li, Tongmeng Xing, Peng Zhang, Bin Chen, Zhuo Zhang, Baiyang Zhou, Ting Ding, Jing Li, Lunyong Zhang.  (2025)  A quadruple-functional photo-electrocatalyst for monitorable PCB-12 dechlorination during alkaline water splitting.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.183469]
13. Xiaopei Li, Xianxu Chu, Kefan Ying, Xi Chen, Peng Sun, Haiyun Xu, Lu Li, Jie Zhang, Wenjuan Li.  (2025)  Synthesis of Novel Organic Ni (II) N-isonicotinoylhydrazine-Carbothioamide Complexes and their Application in the Oxygen Evolution Reactions.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D5QI00033E]
14. Peng Xu, Yanlei Guo, Xin Lv, Shuting Wei, Dan Yang, Renquan Guan, Yuxin Wang, Yingmin Teng, Aiceng Li, Huaqiao Tan, Zhongling Lang, Zheng Lou, Lili Wang, Zhao Zhao.  (2026)  In2S3/Ti3C2Tx/TiO2−x S-Scheme Heterojunction: Photo-Activated Enhanced Room-Temperature Ammonia Gas Sensors Inspired by Plant Photosynthesis.  ACS Sensors,      [PMID:] [10.1021/acssensors.5c04921]
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