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Oxabetrinil

Oxabetrinil structure

CAS No:
74782-23-3
Formula:
C12H12N2O3
Chemical Name:
Oxabetrinil
Synonyms:
Benzeneacetonitrile,α-[(1,3-dioxolan-2-ylmethoxy)imino]-;α-[(1,3-Dioxolan-2-ylmethoxy)imino]benzeneacetonitrile;CGA 92194;Concep II;Oxabetrinil;94593-79-0
Categories:
Analytical Chemistry > Standard

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Oxabetrinil Basic Attributes

Molecular Weight：

232.24

Exact Mass：

232.24

EC Number：

616-136-4

DSSTox ID：

DTXSID8052489

Characteristics

PSA：

63.84000

XLogP3：

1.30378

Density：

1.224g/cm3

Melting Point：

77.7 °C

Boiling Point：

349.878ºC at 760 mmHg

Flash Point：

100 °C

Refractive Index：

1.566

Water Solubility：

8.61e-05 M

Storage Conditions：

0-6°C

Vapor Pressure：

3.98e-06 mmHg

Toxicity：

LD50 orl-rat: 5 g/kg 85AREA 3,122,86

Safety Information

Transport codes：

UN28116.1/PG2

wgk germany：

hazard class code：

23-26

safety instructions：

24/25-45

RTECS Number：

CY1709000

Marks：

T,T+

Precautionary statement(s)：

P260-P284-P310

Hazard Statements：

H330

GHS Classification：

|Danger|H302 (70.08%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P284, P301+P312, P304+P312, P304+P340, P310, P312, P320, P330, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 127 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

oxabetrinil

Oxabetrinil Use and Manufacturing

Manufacturing Info：

Benzeneacetonitrile, .alpha.-[(1,3-dioxolan-2-ylmethoxy)imino]-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:232.23
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:232.08479225
Monoisotopic Mass:232.08479225
Topological Polar Surface Area:63.8
Heavy Atom Count:17
Complexity:309
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes