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1-(6-Amino-1,3-benzodioxol-5-yl)ethanone

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone structure

CAS No:
28657-75-2
Formula:
C9H9NO3
Chemical Name:
1-(6-Amino-1,3-benzodioxol-5-yl)ethanone
Synonyms:
Ethanone,1-(6-amino-1,3-benzodioxol-5-yl)-;Acetophenone,2′-amino-4′,5′-(methylenedioxy)-;1-(6-Amino-1,3-benzodioxol-5-yl)ethanone;4,5-(Methylenedioxy)-2-aminoacetophenone;2-Amino-4,5-(methylenedioxy)acetophenone;2′-Amino-4′,5′-methylenedioxyacetophenone;6-Amino-3,4-methylenedioxyacetophenone;5-Acetyl-6-amino-1,3-benzodioxolane;1-(6-Amino-1,3-dioxaindan-5-yl)ethan-1-one;1-(6-Amino-2H-1,3-benzodioxol-5-yl)ethan-1-one;1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

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Description

brown fine granular crystalline powder

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone Basic Attributes

Molecular Weight：

179.17

Exact Mass：

179.17

EC Number：

249-131-7

UNII：

I5IA5A30LI

DSSTox ID：

DTXSID00182815

HScode：

2932999099

Characteristics

PSA：

61.6

XLogP3：

1.01

Appearance：

Brown Fine Granular Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

170-171 °C @ Solvent: Ethanol

Boiling Point：

158 °C (30 mmHg)

Flash Point：

218.6±24.2 °C

Refractive Index：

1.611

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.22E-05mmHg at 25°C

Safety Information

hazard class code：

36/37/38-22

safety instructions：

37/39-26-36

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.17
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:61.6
Heavy Atom Count:13
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone

SDS

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