CAS No.38936-60-6,1-[(AMMONIOOXY)METHYL]-4-CHLOROBENZENE CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38936-60-6
Name:	1-[(AMMONIOOXY)METHYL]-4-CHLOROBENZENE CHLORIDE
Article Data:	11

Formula:	C₇H₉Cl₂NO
Molecular Weight:	194.061
Synonyms:	Benzyloxyamine,p-chloro-, hydrochloride (6CI,7CI);Hydroxylamine, O-[(4-chlorophenyl)methyl]-,hydrochloride (9CI);4-Chlorobenzyloxyamine hydrochloride;O-(4-Chlorobenzyl)hydroxylamine hydrochloride;O-(p-Chlorobenzyl)hydroxylaminehydrochloride;
Melting Point:	230°C
Boiling Point:	274 °C at 760 mmHg
Flash Point:	119.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	35.25000
LogP:	3.23260

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Specification

The Hydroxylamine,O-[(4-chlorophenyl)methyl]-, hydrochloride (1:1), with CAS registry number 38936-60-6, has the systematic name of 1-[(aminooxy)methyl]-4-chlorobenzene hydrochloride (1:1). And the chemical formula of this chemical is C₇H₉Cl₂NO. Its molecular weight is 194.0585.

Physical properties of Hydroxylamine,O-[(4-chlorophenyl)methyl]-, hydrochloride (1:1): (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å²; (7)Flash Point: 119.5 °C; (8)Enthalpy of Vaporization: 51.24 kJ/mol; (9)Boiling Point: 274 °C at 760 mmHg; (10)Vapour Pressure: 0.00555 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hydroxylamine,O-[(4-chlorophenyl)methyl]-, hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CON.Cl
(2)InChI: InChI=1/C7H8ClNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
(3)InChIKey: VIFDVZZLHVXUHV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H8ClNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
(5)Std. InChIKey: VIFDVZZLHVXUHV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	650mg/kg (650mg/kg)		Journal of Medicinal Chemistry. Vol. 7, Pg. 329, 1964.