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7-Methoxy-2-tetralone

7-Methoxy-2-tetralone structure

CAS No:
4133-34-0
Formula:
C11H12O2
Chemical Name:
7-Methoxy-2-tetralone
Synonyms:
2(1H)-Naphthalenone,3,4-dihydro-7-methoxy-;3,4-Dihydro-7-methoxy-2(1H)-naphthalenone;7-Methoxy-2-tetralone;7-Methoxy-β-tetralone;7-Methoxy-3,4-dihydro-1H-naphthalen-2-one;7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one;7-Methoxy-3,4-dihydronaphthalen-2(1H)-one;7-Methoxy-2-tetralinone
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

Clear yellow to orange liquid after melting

7-Methoxy-2-tetralone Basic Attributes

Molecular Weight：

176.21

Exact Mass：

176.21

EC Number：

223-954-1

DSSTox ID：

DTXSID00194296

HScode：

2914509090

Characteristics

PSA：

26.3

XLogP3：

1.6

Appearance：

Clear yellow to orange Liquid After Melting

Density：

1.1±0.1 g/cm3

Melting Point：

23-24 °C

Boiling Point：

123-125 °C @ Press: 0.4 Torr

Flash Point：

>230 °F

Refractive Index：

1.549

Storage Conditions：

0-6°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

24/25-36-26

Marks：

Xi,Xn

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Drug Information

MeSH Entry Terms：

7-methoxy-2-tetralone

7-Methoxy-2-tetralone Use and Manufacturing

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:176.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Ethyl acetate

Ethanol

Hydrochloric acid

Sodium chloride

Dimethyl sulfate