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3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA:FREE)

3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA:FREE) structure

CAS No:
252928-92-0
Formula:
C8H8N4
Chemical Name:
3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA:FREE)
Synonyms:
3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA: FREE);3-(1,2,4-triazol-4-yl)aniline;Benzenamine, 3-(4H-1,2,4-triazol-4-yl)-

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3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA:FREE) Basic Attributes

Molecular Weight：

160.18

Exact Mass：

160.074896272

DSSTox ID：

DTXSID00424626

Characteristics

Density：

1.32±0.1 g/cm3

Boiling Point：

394.5±44.0 °C(Predicted)

PKA：

3.71±0.10

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

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:160.18
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.074896272
Monoisotopic Mass:160.074896272
Topological Polar Surface Area:56.7
Heavy Atom Count:12
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4H-1,2,4-triazol-4-yl)aniline(SALTDATA:FREE)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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