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1-[(Trifluoromethyl)sulfonyl]-1H-imidazole

1-[(Trifluoromethyl)sulfonyl]-1H-imidazole structure

CAS No:
29540-81-6
Formula:
C4H3F3N2O2S
Chemical Name:
1-[(Trifluoromethyl)sulfonyl]-1H-imidazole
Synonyms:
1H-Imidazole,1-[(trifluoromethyl)sulfonyl]-;Imidazole,1-[(trifluoromethyl)sulfonyl]-;1-[(Trifluoromethyl)sulfonyl]-1H-imidazole;N-Trifluoromethanesulfonylimidazole;NSC 114260;NSC 270680;1-(Trifluoromethanesulfonyl)imidazole;1-Trifluoromethanesulfonyl-1H-imidazole;1-(Trifluoromethylsulfonyl)imidazole

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1-[(Trifluoromethyl)sulfonyl]-1H-imidazole Basic Attributes

Molecular Weight：

200.14

Exact Mass：

200.14

EC Number：

249-686-5

UNII：

5E5ZM4CKV4

NSC Number：

114260|270680

DSSTox ID：

DTXSID00183726

HScode：

2933290090

Characteristics

PSA：

60.34000

XLogP3：

1.66160

Density：

1.525 g/mL at 20 °C(lit.)

Melting Point：

19-21 °C

Boiling Point：

40°C/10mmHg(lit.)

Flash Point：

92.7ºC

Refractive Index：

n20/D 1.416

Storage Conditions：

2-8ºC

Vapor Pressure：

0.024mmHg at 25°C

PKA：

-0.65±0.10

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Xn,Xi

GHS Classification：

|Warning|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:200.14
XLogP3:0.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:199.98673300
Monoisotopic Mass:199.98673300
Topological Polar Surface Area:60.3
Heavy Atom Count:12
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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