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5-Bromoisoquinoline

5-Bromoisoquinoline structure

CAS No:
34784-04-8
Formula:
C9H6BrN
Chemical Name:
5-Bromoisoquinoline
Synonyms:
BUTTPARK 44\07-76;AKOS BBS-00003132;5-BROMOISOQUINOLINE;5-Bromo Isoquinolin;5-Bromoisoquinoline,98%;Isoquinoline, 5-bromo-;5-Bromoisoquinoline,97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White to yellow-brown crystals

5-Bromoisoquinoline Basic Attributes

Molecular Weight：

208.05

Exact Mass：

206.968353

BRN：

114468

DSSTox ID：

DTXSID70353035

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

2.8

Density：

1.6±0.1 g/cm3

Melting Point：

83-87 °C(lit.)

Boiling Point：

95-97°C0,1mm

Flash Point：

95-97°C/0.1mm

Refractive Index：

1.674

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-21/22-20/21/22

safety instructions：

26-36-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (13.46%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromoisoquinoline Use and Manufacturing

Starting material employed in palladium-catalyzed aminomethylation1 and amination2 reactions.

Computed Properties

Molecular Weight:208.05
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Exact Mass:206.96836
Monoisotopic Mass:206.96836
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 34784-04-8

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