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3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole

3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole structure

CAS No:
106724-85-0
Formula:
C9H7Br2N3
Chemical Name:
3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,3,5-dibromo-1-(phenylmethyl)-;3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole;1-Benzyl-3,5-dibromo-1H-1,2,4-triazole;1-Benzyl-3,5-dibromo-1,2,4-triazole

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3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

316.98

Exact Mass：

316.98

DSSTox ID：

DTXSID60363062

HScode：

2933990090

Characteristics

PSA：

30.7

XLogP3：

2.85140

Density：

1.91g/cm3

Melting Point：

60 °C

Boiling Point：

436.6ºC at 760mmHg

Flash Point：

217.9ºC

Refractive Index：

1.7

Water Solubility：

17.4 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Marks：

Xi,F

Hazard note：

Irritant/Flammable

Computed Properties

Molecular Weight:316.98
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:316.89862
Monoisotopic Mass:314.90067
Topological Polar Surface Area:30.7
Heavy Atom Count:14
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

3,5-Dibromo-1-(phenylmethyl)-1H-1,2,4-triazole

SDS

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