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7-Nitroindole

7-Nitroindole structure

CAS No:
6960-42-5
Formula:
C8H6N2O2
Chemical Name:
7-Nitroindole
Synonyms:
1H-Indole,7-nitro-;Indole,7-nitro-;7-Nitro-1H-indole;7-Nitroindole;NSC 69874
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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7-Nitroindole Basic Attributes

Molecular Weight：

162.14500

Exact Mass：

162.15

NSC Number：

69874

DSSTox ID：

DTXSID20219879

HScode：

2933990090

Characteristics

PSA：

61.61000

XLogP3：

2.59930

Appearance：

yellow crystalline powder

Density：

1.425 g/cm3

Melting Point：

113 °C @ Solvent: Ligroine

Boiling Point：

170-175 °C

Flash Point：

173.1ºC

Refractive Index：

1.723

Water Solubility：

slightly soluble

Safety Information

wgk germany：

hazard class code：

R68

safety instructions：

S36/37-S45

RTECS Number：

NM1169000

Marks：

GHS Classification：

|Warning|H302 (12.5%): 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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:162.15
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:61.6
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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