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5-(Trifluoromethyl)-1H-imidazole

5-(Trifluoromethyl)-1H-imidazole structure

CAS No:
33468-69-8
Formula:
C4H3F3N2
Chemical Name:
5-(Trifluoromethyl)-1H-imidazole
Synonyms:
1H-Imidazole,5-(trifluoromethyl)-;1H-Imidazole,4-(trifluoromethyl)-;Imidazole,4-(trifluoromethyl)-;5-(Trifluoromethyl)-1H-imidazole;4-(Trifluoromethyl)imidazole;4-Trifluoromethyl-1H-imidazole;5-Trifluoromethylimidazole;5-Trifluoromethyl-1H-imidazole;93977-32-3;196413-15-7;937590-48-2
Categories:
Organic Chemistry > Organic Fluorine Compound

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5-(Trifluoromethyl)-1H-imidazole Basic Attributes

Molecular Weight：

136.08

Exact Mass：

136.08

EC Number：

206-381-1

DSSTox ID：

DTXSID30342920

HScode：

2933290090

Characteristics

PSA：

28.68000

XLogP3：

1.42850

Density：

1.440±0.06 g/cm3

Melting Point：

128-132 °C @ Solvent: Benzene

Boiling Point：

224.7±35.0 °C(Predicted)

Refractive Index：

1.416

PKA：

10.29±0.10

Safety Information

hazard class code：

22-36/37/38-40

safety instructions：

26-36/37-24/25

Marks：

Xi,Xn

GHS Classification：

|Warning|H302 (96.97%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 132 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:136.08
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:136.02483259
Monoisotopic Mass:136.02483259
Topological Polar Surface Area:28.7
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(Trifluoromethyl)-1H-imidazole

CAS No.: 33468-69-8

Content: 99.00%

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Guide of 5-(Trifluoromethyl)-1H-imidazole

Basic Attributes
Characteristics
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Computed Properties
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