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1-phenyltriazole-4-carbaldehyde

1-phenyltriazole-4-carbaldehyde structure

CAS No:
34296-51-0
Formula:
C9H7N3O
Chemical Name:
1-phenyltriazole-4-carbaldehyde
Synonyms:
1-phenyl-1H-1,2,3-triazole-4-carboxaldehyde; 1-phenyl-4-formyl-1,2,3-triazole; 1-Phenyl-1H-[1,2,3]triazol-4-carbaldehyd; N-benzyltriazene-4-carboxaldehyde; 1-phenyl-1,2,3-triazole-4-carbaldehyde; phenyltriazolecarbaldehyde; 1-phenyl-1H-[1,2,3]triazole-4-carbaldehyde;Expand

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1-phenyltriazole-4-carbaldehyde Basic Attributes

Molecular Weight：

173.17100

Exact Mass：

173.058911855

DSSTox ID：

DTXSID40363146

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.07980

Density：

1.25g/cm3

Melting Point：

99-101ºC

Boiling Point：

359.8ºC

Flash Point：

171.4ºC

Refractive Index：

1.642

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-phenyltriazole-4-carbaldehyde

Basic Attributes
Characteristics
Safety Information
Computed Properties

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