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2-Chloroethyl isocyanate - 97%, high purity , CAS No.1943-83-5
Basic Description
Synonyms
2-chloroethyl isocyanate, low hcl, 97% | 2-Chlorethylisokyanat | A4278 | beta-chloroethyl isocyanate | Z-1016 | chlorethylisocyanate | I0293 | Chloroethylisocyanate | Ethane, 1-chloro-2-isocyanato- | MFCD00002043 | 1-chloro-2-(isocyanato)ethane | beta-chl
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
2-Chloroethyl isocyanate may be used in the synthesis of:
• 8-carbamoyl-3-(2-chloroethyl)imidazo[5,1-d]-l,2,3,5-tetrazin-4(3H)-one
• 1-(2-chloroethyl)-3-(2-hydroxyethyl) urea
• 3-substituted 1-(2-chloroethyl)-3-β-glycosylureas
• 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea (CCNU)
• (2-chloroethyl)-4-acetoxybenzyl ester
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Isocyanates
Intermediate Tree Nodes
Not available
Direct Parent
Isocyanates
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-chloro-2-isocyanatoethane
INCHI
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
Smiles
C(CCl)N=C=O
Isomeric SMILES
C(CCl)N=C=O
WGK Germany
3
RTECS
NQ8450000
UN Number
1993
Molecular Weight
105.52
Beilstein
1071429
Reaxy-Rn
1071429
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071429&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture & Light & heat sensitive.
Refractive Index
1.446-1.449
Flash Point(°F)
132.8 °F
Flash Point(°C)
56℃
Boil Point(°C)
135°C
Molecular Weight
105.520 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
104.998 Da
Monoisotopic Mass
104.998 Da
Topological Polar Surface Area
29.400 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
67.200
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Haiyang Liao, Wenzhao Zhong, Chen Li, Jieling Han, Xiao Sun, Xinhui Xia, Ting Li, Abolhassan Noori, Mir F. Mousavi, Xin Liu, Yongqi Zhang.
(2024)
An intrinsically self-healing and anti-freezing molecular chains induced polyacrylamide-based hydrogel electrolytes for zinc manganese dioxide batteries. Journal of Energy Chemistry,
89
(565).
2.
Lin Zhang, Jili Yuan, Qinqin Xu, Fazhi Zhang, Qi Sun, Haibo Xie.
(2023)
Noble-metal-free Co-N-C catalyst derived from cellulose-based poly(ionic liquid)s for highly efficient oxygen reduction reaction. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,
242
(125110).
3.
Haiyang Liao, Wenzhao Zhong, Jieling Han, Yeqi Xiao, Tieming Xiao, Xiao Sun, Guixin Cui, Jie Huang.
(2023)
Self-healable and freeze-resistant polyelectrolyte based on an EG anchor chain and dual dynamic reversible interaction as highly sensitive ionic skin. Journal of Materials Chemistry C,
11
(14):
(4753-4765).
4.
Wendong Xing, Zhongfei Ma, Chong Wang, Jia Gao, Chao Yu, Yongsheng Yan, Li Yan, Chunxiang Li, Yilin Wu.
(2023)
Hierarchically porous molecularly imprinted membranes with multiple transfer channels for micropollutants selective separation. DESALINATION,
547
(116226).
5.
Chong Wang, Wendong Xing, Yilin Wu, Yunhui Li, Yongsheng Yan, Jianwei Zhu.
(2022)
In-situ synthesis of CNT/UiO-66-NH2-based molecularly imprinted nanocomposite membranes for selective recognition and separation of sulfamethoxazole: A synergistic promotion system. Surfaces and Interfaces,
31
(101986).
6.
Xiu Liu, Junli Pu, Jianming Li, Bolin Gong.
(2022)
Preparation and performance analysis of monodisperse glycidyl methacrylate modified restricted access media-imprinted materials. JOURNAL OF SEPARATION SCIENCE,
45
(4):
(976-983).
7.
Hang Zhou, Jia Chen, Hui Li, Kaijun Quan, Yingshan Zhang, Hongdeng Qiu.
(2020)
Imidazolium ionic liquid-enhanced poly(quinine)-modified silica as a new multi-mode chromatographic stationary phase for separation of achiral and chiral compounds. TALANTA,
211
(120743).
8.
Zhian Sun, Huachun Liu, Yanqiang Zhou, Shanwen Zhao, Jianmin Li, Xiaoxiao Wang, Bolin Gong.
(2019)
A restricted access molecularly imprinted polymer coating on metal–organic frameworks for solid-phase extraction of ofloxacin and enrofloxacin from bovine serum. RSC Advances,
9
(48):
(27953-27960).
9.
Datong Wu, Jiapei Yang, Yonggang Peng, Yin Yu, Jie Zhang, Lili Guo, Yong Kong, Jinlong Jiang.
(2019)
Highly enantioselective recognition of various acids using polymerized chiral ionic liquid as electrode modifies. SENSORS AND ACTUATORS B-CHEMICAL,
282
(164).
10.
Datong Wu, Yin Yu, Jie Zhang, Lili Guo, Yong Kong.
(2018)
Chiral Poly(ionic liquid) with Nonconjugated Backbone as a Fluorescent Enantioselective Sensor for Phenylalaninol and Tryptophan. ACS Applied Materials & Interfaces,
10
(27):
(23362–23368).
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10 Citations
G2114150