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3-Nitro-1,2,4-triazole

3-Nitro-1,2,4-triazole structure

CAS No:
24807-55-4
Formula:
C2H2N4O2
Chemical Name:
3-Nitro-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,5-nitro-;s-Triazole,3-nitro-;1H-1,2,4-Triazole,3-nitro-;5-Nitro-1H-1,2,4-triazole;3-Nitro-1,2,4-triazole;3-Nitro-1H-1,2,4-triazole;NSC 133107;N 0477;3-Nitro-4H-1,2,4-triazole;21733-02-8;36899-18-0;91039-54-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Nitro-1,2,4-triazole Basic Attributes

Molecular Weight：

114.06300

Exact Mass：

114.06

EC Number：

246-468-1

NSC Number：

133107

DSSTox ID：

DTXSID60179504

HScode：

29339990

Characteristics

PSA：

87.39000

XLogP3：

0.23610

Appearance：

white or light yellow powder

Density：

1.65 g/cm³ @ Temp: 20 °C

Melting Point：

210 °C

Boiling Point：

409.4ºC at 760 mmHg

Flash Point：

201.4ºC

Refractive Index：

1.627

Storage Conditions：

0-6ºC

Vapor Pressure：

6.54E-07mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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

Computed Properties

Molecular Weight:114.06
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:114.01777532
Monoisotopic Mass:114.01777532
Topological Polar Surface Area:87.4
Heavy Atom Count:8
Complexity:98.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Nitro-1,2,4-triazole

CAS No.: 24807-55-4

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3-Nitro-1,2,4-triazole

CAS No.: 24807-55-4

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