2-Amino-1-(4-chlorophenyl)ethanone hydrochloride supplier

Name
2-AMINO-4'-CHLOROACETOPHENONE HYDROCHLORIDE
EINECS
CAS No. 5467-71-0
Article Data24
CAS DataBase
Density
Solubility
Melting Point 262 °C
Formula C₈H₈ClNO^.HCl
Boiling Point 301.6 °C at 760 mmHg
Molecular Weight 206.072
Flash Point 136.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2-amino-4'-chloro-, hydrochloride (7CI,8CI);Ethanone,2-amino-1-(4-chlorophenyl)-, hydrochloride (9CI);2-Amino-1-(4-chlorophenyl)-1-ethanone hydrochloride;2-Amino-1-(4-chlorophenyl)ethanone hydrochloride;2-Amino-4'-chloroacetophenonehydrochloride;a-Amino-4-chloroacetophenonehydrochloride;a-Amino-4'-chloroacetophenonehydrochloride;a-Amino-p-chloroacetophenonehydrochloride;
PSA 43.09000
LogP 2.98370

2-Amino-1-(4-chlorophenyl)ethanone hydrochloride Specification

The 2-Amino-1-(4-chlorophenyl)ethanone hydrochloride, with the CAS registry number 5467-71-0, is also known as Ethanone, 2-amino-1-(4-chlorophenyl)-, hydrochloride (1:1). It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C₈H₈ClNO^.HCl and molecular weight is 206.07. Its IUPAC name is called 2-amino-1-(4-chlorophenyl)ethanone hydrochloride. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. This chemical's classification code is Drug/Therapeutic Agent.

Physical properties of 2-Amino-1-(4-chlorophenyl)ethanone hydrochloride: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 7.34; (8)ACD/KOC (pH 7.4): 123.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Flash Point: 136.2 °C; (14)Melting Point: 262 °C; (15)Enthalpy of Vaporization: 54.17 kJ/mol; (16)Boiling Point: 301.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00104 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)CN)Cl.Cl
(2)InChI: InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
(3)InChIKey: OVKMQHKVUWBLSV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intravenous	300mg/kg (300mg/kg)		Quarterly Journal of Pharmacy & Pharmacology. Vol. 9, Pg. 203, 1936.
mouse	LDLo	oral	1750mg/kg (1750mg/kg)		Quarterly Journal of Pharmacy & Pharmacology. Vol. 9, Pg. 203, 1936.

Product Name

2-AMINO-4'-CHLOROACETOPHENONE HYDROCHLORIDE

2-Amino-1-(4-chlorophenyl)ethanone hydrochloride Specification

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