Basic Description

Synonyms	1-Chloro-3-isocyanatopropane \| 1-chloro-3-isocyanato-propane \| J-640334 \| 3-Chloropropylisocyanate \| 3-chloropropyl-isocyanate \| AKOS005257607 \| chloropropylisocyanate \| LS-06430 \| EN300-55635 \| FT-0615489 \| C3027 \| GEO-00794 \| J-800337 \| DTXSID20156336 \|
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Usually used in the preparation of 9,10-dimethoxy- and 9,10-diethoxy-5H-2,3,7,8,12b,13-hexahydroimidazo[1′,2′:3,4]pyrimido[6,1-a]isoquinolin-5-one,11,12-dimethoxy- and 11,12-diethoxy-2H,6H-3,4,8,9,13b,14-hexahydropyrimido[1′,2′:3,4]pyrimido[6,1-a]isoquinoline-6-one,N-[N′-(3-chloropropyl)-N′-nitrosocarbamoyl]-L-proline,1,3-oxazino[2,3-b]quinazolines via coupling with anthranilamide.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Isocyanates

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-chloro-3-isocyanatopropane
INCHI	InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChIKey	RQAVSDINDRNIKL-UHFFFAOYSA-N
Smiles	C(CN=C=O)CCl
Isomeric SMILES	C(CN=C=O)CCl
WGK Germany	3
UN Number	2206
Molecular Weight	119.55
Reaxy-Rn	1098789
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098789&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

14 results found

Lot Number	Certificate Type	Date	Item
I2108091	Certificate of Analysis	Jun 10, 2025	C107897
I2108092	Certificate of Analysis	Jun 10, 2025	C107897
I2320294	Certificate of Analysis	Feb 15, 2023	C107897
I2320292	Certificate of Analysis	Feb 15, 2023	C107897
I2320293	Certificate of Analysis	Feb 15, 2023	C107897
I2320271	Certificate of Analysis	Feb 15, 2023	C107897
B2317653	Certificate of Analysis	Jan 05, 2023	C107897
B2317639	Certificate of Analysis	Jan 05, 2023	C107897
B2317685	Certificate of Analysis	Jan 05, 2023	C107897
B2317689	Certificate of Analysis	Jan 05, 2023	C107897
H2229106	Certificate of Analysis	Jul 30, 2022	C107897
H2229108	Certificate of Analysis	Jul 30, 2022	C107897
H2229104	Certificate of Analysis	Jul 30, 2022	C107897
H2229105	Certificate of Analysis	Jul 30, 2022	C107897

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Chemical and Physical Properties

Sensitivity	Hygroscopic ;Heat sensitive
Refractive Index	1.452
Flash Point(°F)	143.6 °F
Flash Point(°C)	62 °C
Boil Point(°C)	152-154°C
Molecular Weight	119.550 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	119.014 Da
Monoisotopic Mass	119.014 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	77.800
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

How to Cite Aladdin Scientific Products?

1. Liu Nijuan, Liu Jingjing, Niu Xiaohui, Wang Jia, Guo Ruibin, Mo Zunli. (2021) An electrochemical chiral sensor based on the synergy of chiral ionic liquid and 3D-NGMWCNT for tryptophan enantioselective recognition. MICROCHIMICA ACTA, 188 (5): (1-13).
2. Datong Wu, Wensheng Tan, Yin Yu, Baozhu Yang, Hongda Li, Yong Kong. (2018) A facile avenue to prepare chiral graphene sheets as electrode modification for electrochemical enantiorecognition. ANALYTICA CHIMICA ACTA, 1033 (58).
3. Datong Wu, Pengfei Cai, Zhihao Tao, Yuanjiang Pan. (2016) Specific ionic effect for simple and rapid colorimetric sensing assays of amino acids using gold nanoparticles modified with task-specific ionic liquid. ANALYTICA CHIMICA ACTA, 902 (174).
4. Datong Wu, Ying Zhou, Pengfei Cai, Shanshan Shen, Yuanjiang Pan. (2015) Specific cooperative effect for the enantiomeric separation of amino acids using aqueous two-phase systems with task-specific ionic liquids. JOURNAL OF CHROMATOGRAPHY A, 1395 (65).

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SKU	Size	Availability	Price
C107897-1g	1g	3	$21.90
C107897-5g	5g	3	$63.90
C107897-25g	25g	2	$284.90
C107897-100g	100g	2	$1,023.90

3-Chloropropyl isocyanate - 96%, high purity , CAS No.13010-19-0