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Bis(1-methylethyl) P-(cyanomethyl)phosphonate

Bis(1-methylethyl) P-(cyanomethyl)phosphonate structure

CAS No:
21658-95-7
Formula:
C8H16NO3P
Chemical Name:
Bis(1-methylethyl) P-(cyanomethyl)phosphonate
Synonyms:
Phosphonic acid,P-(cyanomethyl)-,bis(1-methylethyl) ester;Phosphonic acid,(cyanomethyl)-,diisopropyl ester;Phosphonic acid,(cyanomethyl)-,bis(1-methylethyl) ester;Bis(1-methylethyl) P-(cyanomethyl)phosphonate;Diisopropyl cyanomethylphosphonate;Diisopropyl phosphonoacetonitrile;2-Di(propan-2-yloxy)phosphorylacetonitrile

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Bis(1-methylethyl) P-(cyanomethyl)phosphonate Basic Attributes

Molecular Weight：

205.19 g/mol

Exact Mass：

205.19

EC Number：

244-511-9

DSSTox ID：

DTXSID50176042

Characteristics

PSA：

59.3 Å²

Density：

1.0550 g/cm³ @ Temp: 20 °C

Boiling Point：

126-128 °C @ Press: 0.5 Torr

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, 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:205.19
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:205.08678037
Monoisotopic Mass:205.08678037
Topological Polar Surface Area:59.3
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: fluorene; iron iii sulfide; dmds; peg 40 hydrogenated castor oil; nitrogen trifluoride; hongdenafil

Guide of Bis(1-methylethyl) P-(cyanomethyl)phosphonate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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