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1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one

1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one structure

CAS No:
4114-21-0
Formula:
C4H7N3O
Chemical Name:
1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one
Synonyms:
3H-1,2,4-Triazol-3-one,1,2-dihydro-2,5-dimethyl-;Δ2-1,2,4-Triazolin-5-one,1,3-dimethyl-;3H-1,2,4-Triazol-3-one,2,4-dihydro-2,5-dimethyl-;1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one

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1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one Basic Attributes

Molecular Weight：

113.11800

Exact Mass：

113.12

DSSTox ID：

DTXSID20194076

HScode：

2933990090

Characteristics

PSA：

50.68000

XLogP3：

-0.58320

Density：

1.34g/cm3

Melting Point：

152-153 °C

Boiling Point：

135.6ºC at 760 mmHg

Flash Point：

35.8ºC

Refractive Index：

1.607

Safety Information

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:113.12
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:113.058911855
Monoisotopic Mass:113.058911855
Topological Polar Surface Area:44.7
Heavy Atom Count:8
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoac; formula sodium hypochlorite; benzylamine; nitrite formula; l malic acid; amytal sodium

Guide of 1,2-Dihydro-2,5-dimethyl-3H-1,2,4-triazol-3-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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