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3-Ketocarbofuran

3-Ketocarbofuran structure

CAS No:
16709-30-1
Formula:
C12H13NO4
Chemical Name:
3-Ketocarbofuran
Synonyms:
3(2H)-Benzofuranone,2,2-dimethyl-7-[[(methylamino)carbonyl]oxy]-;Carbamic acid,methyl-,ester with 7-hydroxy-2,2-dimethyl-3(2H)-benzofuranone;3(2H)-Benzofuranone,7-hydroxy-2,2-dimethyl-,methylcarbamate;2,2-Dimethyl-7-[[(methylamino)carbonyl]oxy]-3(2H)-benzofuranone;3-Ketocarbofuran;3-Oxocarbofuran;2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl methylcarbamate;(2,2-Dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate;2,2-Dimethyl-3-oxo-2,3-dihydrobenzofuran-7-yl methylcarbamate
Categories:
Analytical Chemistry > Standard

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Description

Solid

3-Oxo-carbofuran is a member of benzofurans.

3-Ketocarbofuran Basic Attributes

Molecular Weight：

235.24

Exact Mass：

235.24

DSSTox ID：

DTXSID10168226

HScode：

2932999099

Characteristics

PSA：

64.6

XLogP3：

1.44

Density：

1.232±0.06 g/cm3(Predicted)

Melting Point：

175-185 °C

Boiling Point：

362.2±42.0 °C(Predicted)

Flash Point：

>100 °C

Refractive Index：

1.539

Storage Conditions：

−20°C

Vapor Pressure：

1.96E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2757

wgk germany：

hazard class code：

RTECS Number：

FC2505000

Marks：

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-ketocarbofuran

3-Ketocarbofuran Use and Manufacturing

Use Classification：

Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

3-keto-carbofuran is a known environmental transformation product of Carbofuran and Carbosulfan.

Computed Properties

Molecular Weight:235.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:235.08445790
Monoisotopic Mass:235.08445790
Topological Polar Surface Area:64.6
Heavy Atom Count:17
Complexity:339
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes