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4-Bromoisoquinoline

4-Bromoisoquinoline structure

CAS No:
1532-97-4
Formula:
C9H6BrN
Chemical Name:
4-Bromoisoquinoline
Synonyms:
Isoquinoline,4-bromo-;4-Bromoisoquinoline;NSC 56333;4-Isoquinolinyl bromide
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pale Yellow Solid

4-Bromoisoquinoline Basic Attributes

Molecular Weight：

208.05

Exact Mass：

208.05

BRN：

114431

EC Number：

216-244-8

NSC Number：

56333

DSSTox ID：

DTXSID00165284

HScode：

29339900

Characteristics

PSA：

12.9

XLogP3：

2.8

Appearance：

White to light beige Crystalline Solid

Density：

1.5617 (rough estimate)

Melting Point：

41.5 °C

Boiling Point：

282.5 °C

Flash Point：

>230 °F

Refractive Index：

1.6641 (estimate)

Storage Conditions：

Refrigerator (+4°C)

Vapor Pressure：

0.00571mmHg at 25°C

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：

26-37/39-36/37/39-22-36

Marks：

Xi,Xn

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromoisoquinoline Use and Manufacturing

Shows selective inhibition of cAMP-dependent protein kinase

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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Grade: Industrial Grade

Content: 98%

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