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3,5-DIFLUOROPHENYLACETONITRILE

3,5-DIFLUOROPHENYLACETONITRILE structure

CAS No:
122376-76-5
Formula:
C8H5F2N
Chemical Name:
3,5-DIFLUOROPHENYLACETONITRILE
Synonyms:
3,5-Difluorophenylacetonitrile, 5-Difluorophenylacetonitrile;2-(3,5-DIFLUOROPHENYL)ACETONITRILE;3,5-DIFLUOROBENZYL CYANIDE;3,5-DIFLUOROPHENYLACETONITRILE;Benzeneacetonitrile, 3,5-difluoro- (9CI);3,5-Difluorophenylacetonitrile 98%;3,5-Difluorophenylacetonitrile98%
Categories:
Organic Chemistry > Organic Fluorine Compound

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3,5-DIFLUOROPHENYLACETONITRILE Basic Attributes

Molecular Weight：

153.13

Exact Mass：

153.039001

BRN：

6386696

DSSTox ID：

DTXSID10333790

HScode：

29269090

Characteristics

PSA：

23.8

XLogP3：

1.8

Appearance：

low melting solid

Density：

1.234±0.06 g/cm3(Predicted)

Melting Point：

35-38 °C(lit.)

Boiling Point：

204.4±25.0 °C(Predicted)

Flash Point：

>230 °F

Refractive Index：

1.487

Vapor Pressure：

0.000437mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36-36/37/39

Marks：

Xn,T

Hazard note：

Toxic

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (95.74%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:153.13
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:153.03900549
Monoisotopic Mass:153.03900549
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5-Difluorophenylacetonitrile

CAS No.: 122376-76-5

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Guide of 3,5-DIFLUOROPHENYLACETONITRILE

Basic Attributes
Characteristics
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