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(6-methylpyridin-3-yl) trifluoromethanesulfonate

(6-methylpyridin-3-yl) trifluoromethanesulfonate structure

CAS No:
111770-91-3
Formula:
C7H6F3NO3S
Chemical Name:
(6-methylpyridin-3-yl) trifluoromethanesulfonate
Synonyms:
2-Methyl-5-pyridinetrifluoromethanesulfonate; trifluoromethanesulfonic acid 2-methyl-5-pyridinyl ester; 6-methylpyridin-3-yl trifluoromethanesulfonate; trifluoromethanesulfonic acid 2-methylpyridin-5-yl ester; trifluoromethanesulfonic acid 6-methylpyridin-3-yl ester; Methanesulfonic acid,trifluoro-,6-methyl-3-pyridinyl ester; 2-methyl-5-(trifluoromethylsulfonyloxy)pyridine; trifluoromethanesulfonic acid 6-methyl-3-pyridinyl ester; (2-methylpyridine-5-yl)trifluoromethanesulfonate; 2-Methyl-5-pyridyl triflate;Expand

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(6-methylpyridin-3-yl) trifluoromethanesulfonate Basic Attributes

Molecular Weight：

241.18800

Exact Mass：

241.00204871

DSSTox ID：

DTXSID90561514

HScode：

2933399090

Characteristics

PSA：

64.64000

XLogP3：

2.69920

Density：

1.412g/mL

Boiling Point：

80-82ºC

Refractive Index：

n20/D 1.442(lit.)

Vapor Pressure：

0.013mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

hazard class code：

R25

safety instructions：

S26

Marks：

Precautionary statement(s)：

P261; P301 + P310; P305 + P351 + P338

Hazard Statements：

H301; H315; H319; H335

GHS Classification：

|Danger|H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:241.19
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:241.00204871
Monoisotopic Mass:241.00204871
Topological Polar Surface Area:64.6
Heavy Atom Count:15
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6-methylpyridin-3-yl) trifluoromethanesulfonate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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