CAS No.337508-56-2,1-(Bromomethyl)isoquinoline hydrobromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	337508-56-2
Name:	1-(Bromomethyl)isoquinoline hydrobromide

Formula:	C₁₀H₈BrN^.HBr
Molecular Weight:	302.99
Synonyms:	Isoquinoline, 1-(bromomethyl)-, hydrobromide (9CI);1-(Bromomethyl)isoquinoline hydrobromide;
Melting Point:	180-190°C
Boiling Point:	322.1 °C at 760 mmHg
Flash Point:	148.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	12.89000
LogP:	4.08780

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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