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2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE

2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE structure

CAS No:
138479-53-5
Formula:
C9H7N3O
Chemical Name:
2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE
Synonyms:
2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE;2-(1H-1,2,4-TRIAZOL-1-YL)BENZENECARBALDEHYDE;2-(1H-1,2,4-Triazol-1-yl)benzaldehyde;2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE, 95+%;Benzaldehyde, 2-(1H-1,2,4-triazol-1-yl)-

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2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE Basic Attributes

Molecular Weight：

173.17

Exact Mass：

173.058911855

DSSTox ID：

DTXSID60393425

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.07980

Appearance：

Light yellow powder

Density：

1.25±0.1 g/cm3

Melting Point：

110-113

Boiling Point：

376.7±44.0 °C(Predicted)

Flash Point：

181.6ºC

Refractive Index：

1.643

Water Solubility：

19.2 [ug/mL]

Vapor Pressure：

0mmHg at 25°C

PKA：

1.90±0.12

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:173.17
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.058911855
Monoisotopic Mass:173.058911855
Topological Polar Surface Area:47.8
Heavy Atom Count:13
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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