CAS No.14099-81-1,1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14099-81-1
Name:	1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Article Data:	1

Formula:	C₉H₁₂ClN
Molecular Weight:	169.654
Synonyms:	Isoquinoline,1,2,3,4-tetrahydro-, hydrochloride (6CI,8CI,9CI);1,2,3,4-Tetrahydroisoquinoline hydrochloride;
EINECS:	202-050-0
Density:	1.006 g/cm³
Melting Point:	198-202 °C
Boiling Point:	232.5 °C at 760 mmHg
Flash Point:	98.9 °C
Solubility:	almost transparency
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xn, Xi
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26-37/39
PSA:	12.03000
LogP:	2.46310

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Specification

The Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1), with the CAS registry number 14099-81-1, is also known as 1, 2, 3, 4-Tetrahydroisoquinoline hydrochloride (1:1). This chemical's molecular formula is C₉H₁₂ClN and molecular weight is 169.65. What's more, its systematic name is 1, 2, 3, 4-Tetrahydroisoquinolinium chloride.

Physical properties about Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1) are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 98.9 °C; (14)Enthalpy of Vaporization: 46.92 kJ/mol; (15)Boiling Point: 232.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0588 mmHg at 25 °C.

Preparation of Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1): this chemical is prepared by 3, 4-Dihydro-1H-isoquinoline-2-carboxylic acid 1-(3, 5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl ester. The reaction needs solvent Benzene. The yield is about 89 %.

The Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1) can be obtained by 3, 4-Dihydro-1H-isoquinoline-2-carboxylic acid 1-(3, 5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl ester.

Uses of Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1): it is used to produce other chemicals. For example, it is used to produce 2-Nitroso-1, 2, 3, 4-tetrahydro-isoquinoline at ambient temperature. The reaction needs reagent NaNO₃. Meanwhile, it needs solvents H₂O and Acetic acid. The reaction time is 2 hours. The yield is about 94 %.

Isoquinoline, 1, 2, 3, 4-tetrahydro-, hydrochloride (1:1) can be used to produce 2-Nitroso-1, 2, 3, 4-tetrahydro-isoquinoline.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: [Cl-].c1ccc2c(c1)C[NH2+]CC2
(2) InChI: InChI=1/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
(3) InChIKey: MGFREDWKELGWML-UHFFFAOYAE