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1-(Bromomethyl)isoquinoline hydrobromide

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Name

1-(Bromomethyl)isoquinoline hydrobromide

EINECS N/A
CAS No. 337508-56-2 Density N/A
PSA 12.89000 LogP 4.08780
Solubility N/A Melting Point 180-190°C
Formula C10H8BrN.HBr Boiling Point 322.1 °C at 760 mmHg
Molecular Weight 302.99 Flash Point 148.6 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 337508-56-2 (1-(Bromomethyl)isoquinoline hydrobromide) Hazard Symbols IrritantXi
Synonyms

Isoquinoline, 1-(bromomethyl)-, hydrobromide (9CI);1-(Bromomethyl)isoquinoline hydrobromide;

 

1-(Bromomethyl)isoquinoline hydrobromide Specification

The 1-(Bromomethyl)isoquinoline hydrobromide, with the CAS registry number 337508-56-2, is also called 1-Bromomethylisoquinoline HBr. And the molecular formula of the chemical is C10H8BrN.HBr.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 60.12; (6)ACD/BCF (pH 7.4): 61.6; (7)ACD/KOC (pH 5.5): 648.58; (8)ACD/KOC (pH 7.4): 664.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2 ; (13)Flash Point: 148.6 °C; (14)Enthalpy of Vaporization: 54.15 kJ/mol; (15)Boiling Point: 322.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000536 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br.BrCc2nccc1ccccc12
(2)InChI: InChI=1/C10H8BrN.BrH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-6H,7H2;1H
(3)InChIKey: RWSWRJTWPXSENX-UHFFFAOYAR

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