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2,4,5-Trifluorophenylacetonitrile

2,4,5-Trifluorophenylacetonitrile structure

CAS No:
220141-74-2
Formula:
C8H4F3N
Chemical Name:
2,4,5-Trifluorophenylacetonitrile
Synonyms:
2,4,5-TRIFLUOROPHENYLACETONITRILE;2,4,5-TRIFLUOROBENZYL CYANIDE;2,4,5-Trifluorophenylacetonitrile 97%;2,4,5-Trifluorophenylacetonitrile97%;2-(2,4,5-trifluorophenyl)acetonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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2,4,5-Trifluorophenylacetonitrile Basic Attributes

Molecular Weight：

171.12

Exact Mass：

171.029587

DSSTox ID：

DTXSID20380730

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

1.62

Density：

1.3±0.1 g/cm3

Boiling Point：

214.4±35.0 °C at 760 mmHg

Flash Point：

83.5±25.9 °C

Refractive Index：

1.469

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-36/37-23-9

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (28.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:171.12
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.02958362
Monoisotopic Mass:171.02958362
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4,5-Trifluorophenylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2,4,5-Trifluorophenylacetonitrile

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