2,3-Difluorobenzeneacetonitrile
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2,3-Difluorobenzeneacetonitrile
structure -
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CAS No:
145689-34-5
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Formula:
C8H5F2N
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Chemical Name:
2,3-Difluorobenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,2,3-difluoro-;2,3-Difluorobenzeneacetonitrile;(2,3-Difluorophenyl)acetonitrile;2-(2,3-Difluorophenyl)acetonitrile
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CAS No:
Characteristics
23.8
1.8
colorless transparent liquid
1.234±0.06 g/cm3(Predicted)
24ºC
216.9±25.0 °C(Predicted)
85.0±23.2 °C
1.485
0.136mmHg at 25°C
Safety Information
III
6.1
3276
36/37/38
26-36/37/39
T
Toxic
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 6 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:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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