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5,6-Dimethoxy-1-indanone

5,6-Dimethoxy-1-indanone structure

CAS No:
2107-69-9
Formula:
C11H12O3
Chemical Name:
5,6-Dimethoxy-1-indanone
Synonyms:
1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-;1-Indanone,5,6-dimethoxy-;2,3-Dihydro-5,6-dimethoxy-1H-inden-1-one;5,6-Dimethoxy-1-indanone;NSC 401450;5,6-Dimethoxy-2,3-dihydro-1H-inden-1-one;2,3-Dihydro-5,6-dimethoxyinden-1-one;1082840-87-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystal powder

5,6-Dimethoxy-1-indanone Basic Attributes

Molecular Weight：

192.21100

Exact Mass：

192.21

EC Number：

218-287-8

UNII：

F805RZI8GO

NSC Number：

401450

DSSTox ID：

DTXSID9057680

HScode：

2914509090

Characteristics

PSA：

35.53000

XLogP3：

1.6

Appearance：

white to light yellow crystal powder

Density：

1.179g/cm3

Melting Point：

120 °C

Boiling Point：

138-139 °C @ Press: 2 Torr

Flash Point：

150.4ºC

Refractive Index：

1.615

Storage Conditions：

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

Vapor Pressure：

3.35E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5,6-dimethoxyindan-1-one

5,6-Dimethoxy-1-indanone Use and Manufacturing

Uses

An intermediate useful in the preparation of Donepezil.

Manufacturing Info：

1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:192.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzene

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