Basic information
- Name:
Hydroxylamine,O-[(2E)-3-chloro-2-propen-1-yl]-, hydrochloride (1:1)
- Superlist Name:
- (3-trans-Chloroallyl)oxyamine hydrochloride
- CAS No.:
96992-71-1
- Molecular Structure:
![Molecular Structure of 96992-71-1 (Hydroxylamine,O-[(2E)-3-chloro-2-propen-1-yl]-, hydrochloride (1:1))](http://www.lookchem.com/300w/2010/0625/96992-71-1.jpg)
- Formula:
- C3H6ClNO.HCl
- Molecular Weight:
- 144.00
- Synonyms:
- Hydroxylamine,O-(3-chloro-2-propenyl)-, hydrochloride, (E)-;Hydroxylamine, O-[(2E)-3-chloro-2-propenyl]-,hydrochloride (9CI);(E)-O-(3-Chloro-2-propenyl)hydroxylamine hydrochloride;
- Density:
- 1.295 g/cm3
- Melting Point:
- 180 °C
- Boiling Point:
- 170 °C at 760 mmHg
- Flash Point:
- 56.6 °C
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Specification
This chemical is called (3-trans-Chloroallyl)oxyamine hydrochloride. With the molecular formula of C3H6ClNO.HCl, its molecular weight is 144.00. The CAS registry number of this chemical is 96992-71-1, and its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, this chemical is white powder.
Other characteristics of the (3-trans-Chloroallyl)oxyamine hydrochloride can be summarised as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.55; (6)ACD/BCF (pH 7.4): 55.55; (7)ACD/KOC (pH 5.5): 617.27; (8)ACD/KOC (pH 7.4): 617.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 31.04 cm3; (15)Molar Volume: 109.6 cm3; (16)Polarizability: 12.3×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.295 g/cm3; (19)Flash Point: 56.6 °C; (20)Enthalpy of Vaporization: 40.64 kJ/mol; (21)Boiling Point: 170 °C at 760 mmHg; (22)Vapour Pressure: 1.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C3H5Cl2NO/c4-2-1-3-7-6-5/h1-2,6H,3H2/b2-1+
2.Smiles: ClNOC\C=C\Cl
