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6-Bromo-9H-purine

6-Bromo-9H-purine structure

CAS No:
767-69-1
Formula:
C5H3BrN4
Chemical Name:
6-Bromo-9H-purine
Synonyms:
9H-Purine,6-bromo-;Purine,6-bromo-;1H-Purine,6-bromo-;6-Bromo-9H-purine;6-Bromopurine;NSC 45150;888037-30-7
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

Dark yellow crystalline powder

6-Bromo-9H-purine Basic Attributes

Molecular Weight：

199.01

Exact Mass：

199.01

EC Number：

212-187-8

NSC Number：

45150

DSSTox ID：

DTXSID20227499

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

1.3

Density：

1.7±0.1 g/cm3

Melting Point：

>300ºC

Boiling Point：

472.8°C at 760 mmHg

Flash Point：

258.2±8.8 °C

Refractive Index：

1.740

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

UO7513000

Marks：

Xi: Irritant;

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 129 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.01
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:197.95411
Monoisotopic Mass:197.95411
Topological Polar Surface Area:54.5
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Acetone

Acetonitrile

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