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2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one

2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one structure

CAS No:
1008-30-6
Formula:
C8H7N3O
Chemical Name:
2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one
Synonyms:
3H-1,2,4-Triazol-3-one,2,4-dihydro-4-phenyl-;Δ2-1,2,4-Triazolin-5-one,4-phenyl-;2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one;NSC 93434

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2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.16

NSC Number：

93434

DSSTox ID：

DTXSID50294013

HScode：

2933990090

Characteristics

PSA：

44.7

XLogP3：

0.56060

Density：

1.32g/cm3

Melting Point：

186 °C

Refractive Index：

1.665

Safety Information

Hazard category：

IRRITANT

Marks：

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.058911855
Monoisotopic Mass:161.058911855
Topological Polar Surface Area:44.7
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one

SDS

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