O-(3-Chloroallyl)hydroxylamine

Base Information

• Chemical Name: O-(3-Chloroallyl)hydroxylamine
• CAS No.: 87851-77-2
• Molecular Formula: C3H6 Cl N O
• Molecular Weight: 107.54
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID301255966
• Nikkaji Number: J1.584.894D,J1.592.911A
• Mol file: 87851-77-2.mol

Synonyms:87851-77-2;O-(3-Chloroallyl)hydroxylamine;(3-trans-Chloroallyl)oxyamine;O-[(E)-3-chloroprop-2-enyl]hydroxylamine;(E)-O-(3-Chloroallyl)hydroxylamine;o-(3-chloro-2-propenyl)hydroxylamine;3-trans-chloroallyloxyamine;O-(3-CHLOROPROP-2-EN-1-YL)HYDROXYLAMINE;SCHEMBL944900;(E)-3-chloro-2-propenyloxyamine;DTXSID301255966;MFCD09951937;O-[(E)-3-Chloroallyl]hydroxylamine;AKOS006288151;DS-3847;CS-0186105;EN300-122837;EN300-7571404;O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine;A862388;O-[(2E)-3-CHLOROPROP-2-EN-1-YL]HYDROXYLAMINE

Chemical Property of O-(3-Chloroallyl)hydroxylamine

Chemical Property:

• Vapor Pressure: 0.798mmHg at 25°C
• Boiling Point: 209ºC
• PKA: 3.80±0.70(Predicted)
• Flash Point: 80 ºC
• PSA: 35.25000
• Density: 1.155
• LogP: 1.32950
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 107.0137915
• Heavy Atom Count: 6
• Complexity: 46.1

Purity/Quality:

98% ^*data from raw suppliers

(3-trans-Chloroallyl)oxyamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=CCl)ON
• Isomeric SMILES: C(/C=C/Cl)ON
• Uses: (3-trans-Chloroallyl)oxyamine is used as a reagent in the preparation of 5-(dioxabicyclohept-6-yl)cyclohexenone oxime ether as hericides and plant growth regulators.

Technology Process of O-(3-Chloroallyl)hydroxylamine

There total 3 articles about O-(3-Chloroallyl)hydroxylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

(E)-2-(3-chloro-allyloxy)isoindole-1,3-dione → (E)-3-chloro-2-propenyloxyamine (87851-77-2)

Guidance literature:

With hydrogenchloride; In water;

Reference yield: 61.0%

→ (E)-3-chloro-2-propenyloxyamine (87851-77-2)

Guidance literature:

Reference yield:

O-[(E)-3-chloro-2-propen-1-yl]hydroxylamine hydrochloride → (E)-3-chloro-2-propenyloxyamine (87851-77-2)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; pH=9.0;

Downstream raw materials:

2-(1-((E)-3-Chloro-2-propenyloxyimino)propyl)-5-(3,7-dioxabicyclo[4.1.0]hept-6-yl)-3-hydroxycyclohex-2-enone

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Refernces

• 1、 -. "N-ALKOXYAMIDES OF 6-(TRISUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS". Page/Page column 6. . Retrieved 2010/09/07.