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Ethyl 3-(Trifluoromethyl)Pyrazole-4-Carboxylate

Ethyl 3-(Trifluoromethyl)Pyrazole-4-Carboxylate structure

CAS No:
155377-19-8
Formula:
C7H7F3N2O2
Chemical Name:
Ethyl 3-(Trifluoromethyl)Pyrazole-4-Carboxylate
Synonyms:
3-(Trifluoromethyl)pyrazole-4-carboxylic Acid Ethyl Ester; Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate; Ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate; Ethyl 3- (trifluoromethyl)-1H-pyrazole-4-carboxylate; ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;
Categories:
Organic Chemistry > Organic Fluorine Compound

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Ethyl 3-(Trifluoromethyl)Pyrazole-4-Carboxylate Basic Attributes

Molecular Weight：

208.13800

Exact Mass：

208.04596196 g/mol

DSSTox ID：

DTXSID10344346

HScode：

2933199090

Characteristics

PSA：

54.98000

XLogP3：

1.60520

Density：

1.397g/cm3

Melting Point：

145-148ºC

Boiling Point：

301.3ºC

Flash Point：

136ºC

Refractive Index：

1.57

Water Solubility：

13.4 [ug/mL]

Vapor Pressure：

0.00781mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S22-S24/25

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

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|Aggregated GHS information provided by 43 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:208.14
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:208.04596196
Monoisotopic Mass:208.04596196
Topological Polar Surface Area:55
Heavy Atom Count:14
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS No.: 155377-19-8

Content: 99.00%

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Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate

CAS No.: 155377-19-8

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Guide of Ethyl 3-(Trifluoromethyl)Pyrazole-4-Carboxylate

Basic Attributes
Characteristics
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Computed Properties
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