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6-Nitroindazole

6-Nitroindazole structure

CAS No:
7597-18-4
Formula:
C7H5N3O2
Chemical Name:
6-Nitroindazole
Synonyms:
1H-Indazole,6-nitro-;Indazole,6-nitro-;6-Nitro-1H-indazole;6-Nitroindazole;6-Nitroisoindazole;NSC 35066;NSC 56816
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow powder

6-Nitroindazole Basic Attributes

Molecular Weight：

163.136

Exact Mass：

163.13

EC Number：

231-500-9

NSC Number：

56816|35066

HScode：

2933990090

Characteristics

PSA：

74.5

XLogP3：

2.1

Appearance：

light brown powder

Density：

1.5±0.1 g/cm3

Melting Point：

181 °C

Boiling Point：

383.3ºC at 760 mmHg

Flash Point：

86.8±22.6 °C

Refractive Index：

1.741

Water Solubility：

>24.5 [ug/mL]

Storage Conditions：

Room temperature.

Safety Information

wgk germany：

hazard class code：

R20/21/22;R36;R68

safety instructions：

S26-S27-S36/37/39

RTECS Number：

NK7962100

Marks：

Xn:Harmful;

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-nitro-indazole

6-Nitroindazole Use and Manufacturing

Methods of Manufacturing

the photolysis of azide 2a (7.6 mg, 0.050 mmol) in oxygen-saturated acetonitrile (100 mL) was carried out using light of wavelength rage >350 nm in a manner similar to that of 1a. The nitroso 2d and nitro 2e compounds were identified by comparison with standard samples. 6-(Hydroxyimino)-6H-pyrrolo[1, 2-b]pyrazole-3-carbaldehyde (2c, 4.56 mg, 0.028 mmol) was isolated. cis-2c:

Uses

Anticonvulsant

Manufacturing Info：

1H-Indazole, 6-nitro-: INACTIVE

Computed Properties

Molecular Weight:163.13
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:163.038176411
Monoisotopic Mass:163.038176411
Topological Polar Surface Area:74.5
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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