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3-Hydroxycarbofuran

3-Hydroxycarbofuran structure

CAS No:
16655-82-6
Formula:
C12H15NO4
Chemical Name:
3-Hydroxycarbofuran
Synonyms:
3,7-Benzofurandiol,2,3-dihydro-2,2-dimethyl-,7-(N-methylcarbamate);Carbamic acid,methyl-,2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl ester;3,7-Benzofurandiol,2,3-dihydro-2,2-dimethyl-,7-(methylcarbamate);2,3-Dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl methylcarbamate;3-Hydroxycarbofuran;2,3-Dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl methylcarbamate;2,3-Dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl N-methylcarbamate;3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate
Categories:
Analytical Chemistry > Standard

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Description

White Solid

Solid

3-Hydroxy-carbofuran is a member of 1-benzofurans.

3-Hydroxycarbofuran Basic Attributes

Molecular Weight：

237.25

Exact Mass：

237.25

DSSTox ID：

DTXSID2037506

HScode：

2932999099

Characteristics

PSA：

67.8

XLogP3：

0.21

Density：

1.239±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

140-148 °C

Boiling Point：

344.7±42.0 °C(Predicted)

Flash Point：

-4 °C

Refractive Index：

1.553

Storage Conditions：

APPROX 4°C

Vapor Pressure：

2.47E-05mmHg at 25°C

Collision Cross Section：

149.06 Å² [M+H]+

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

2757

wgk germany：

hazard class code：

28-67-66-36-11

safety instructions：

28-36/37/39-45-33-26-16

RTECS Number：

FB9500000

Marks：

T+,Xi,F

Precautionary statement(s)：

P264-P301 + P310

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 42 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

E-hydroxy-carbofuran is a known human metabolite of Carbofuran.

MeSH Entry Terms：

3-hydroxycarbofuran

3-Hydroxycarbofuran Use and Manufacturing

Uses

3-Hydroxy Carbofuran is a metabolite of Carbofuran (C176590).

Use Classification：

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

Agrochemical：

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

Computed Properties

Molecular Weight:237.25
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:67.8
Heavy Atom Count:17
Complexity:305
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes