DIETHYL2-BUTENYLPHOSPHONATE95
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DIETHYL2-BUTENYLPHOSPHONATE95
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CAS No:
682-34-8
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Formula:
H3CCH=CHCH2PO(OCH2CH3)2
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Chemical Name:
DIETHYL2-BUTENYLPHOSPHONATE95
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Synonyms:
Diethyl trans-crotyl phosphonate;(E)-1-diethoxyphosphorylbut-2-ene;DIETHYL 2-BUTENYLPHOSPHONATE 95;Diethyl 2-butenylphosphonate, predominantly trans;SCHEMBL4609885;SCHEMBL11341590;DTXSID40449217;DIETHYL 2-BUTENYLPHOSPHONATE;ZINC2563918;2-Butenylphosphonic acid diethyl ester
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CAS No:
Characteristics
45.34000
2.82860
1.014 g/mL at 25ºC(lit.)
245.385ºC at 760 mmHg
219 °F
n20/D 1.4400(lit.)
Safety Information
NONH for all modes of transport
3
36/37/38
26-36/37
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.19
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:192.09153140
Monoisotopic Mass:192.09153140
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Complexity:167
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes