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CAS No.: | 96992-71-1 |
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Name: | (E)-O-(3-CHLORO-2-PROPENYL)HYDROXYLAMINE HYDROCHLORIDE |
Molecular Structure: | |
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 |
Appearance: | white powder |
PSA: | 35.25000 |
LogP: | 2.13150 |
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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