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| CAS No.: | 29605-78-5 |
|---|---|
| Name: | 1-[(AMMONIOOXY)METHYL]-3-CHLOROBENZENE CHLORIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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|
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| Formula: | C7H9Cl2NO |
| Molecular Weight: | 194.061 |
| Synonyms: | Hydroxylamine,O-(m-chlorobenzyl)-, hydrochloride (8CI);Hydroxylamine, O-[(3-chlorophenyl)methyl]-,hydrochloride (9CI);m-Chlorobenzyloxyamine hydrochloride; |
| Melting Point: | 206-212 °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-[(3-chlorophenyl)methyl]-, hydrochloride (1:1), with the CAS registry number 29605-78-5, is also known as O-(m-Chlorobenzyl)hydroxylamine hydrochloride. This chemical's molecular formula is C7H9Cl2NO and molecular weight is 194.05846. Its IUPAC name is called O-[(3-chlorophenyl)methyl]hydroxylamine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Hydroxylamine,O-[(3-chlorophenyl)methyl]-, hydrochloride (1:1): (1)ACD/LogP: 2.14; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Flash Point: 119.5 °C; (6)Enthalpy of Vaporization: 51.24 kJ/mol; (7)Boiling Point: 274 °C at 760 mmHg; (8)Vapour Pressure: 0.00555 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)Cl)CON.Cl
(2)InChI: InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
(3)InChIKey: PZPCEIVCWGWHCC-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 275mg/kg (275mg/kg) | Journal of Pharmaceutical Sciences. Vol. 59, Pg. 1752, 1970. |