2,3-Dichloropropionitrile - CAS 2601-89-0

Catalog:	BB019103
Product Name:	2,3-Dichloropropionitrile
CAS:	2601-89-0
Synonyms:	2,3-dichloropropanenitrile; 2,3-dichloropropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	2,3-dichloropropanenitrile
Description:	2,3-Dichloropropionitrile (CAS# 2601-89-0) is a reagent in the preparation of functionalized 3-aminothiphenes.
Molecular Weight:	123.97
Molecular Formula:	C3H3Cl2N
Canonical SMILES:	C(C(C#N)Cl)Cl
InChI:	InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2
InChI Key:	RJJDLPQZNANQDQ-UHFFFAOYSA-N
Boiling Point:	62 °C (13 torr)
Density:	1.35 g/cm³
MDL:	MFCD00013809
LogP:	1.35618

Publication Number	Title	Priority Date
CN-112358426-A	Synthesis method of DL-cysteine	20201203
CN-112047897-A	Preparation method of 3-aminoisoxazole	20201016
CN-110854344-A	High-molecular polymer modified diaphragm, preparation method and application	20191128
CN-110854344-B	High-molecular polymer modified diaphragm, preparation method and application	20191128
CN-110474053-B	Lithium metal negative electrode material, preparation method and application	20190821

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GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.9642545
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.9642545
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2