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3-Methylbenzofuran

3-Methylbenzofuran structure

CAS No:
21535-97-7
Formula:
C9H8O
Chemical Name:
3-Methylbenzofuran
Synonyms:
Benzofuran,3-methyl-;3-Methylbenzofuran;3-Methylbenzo[b]furan;3-Methyl-1-benzofuran
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Methylbenzofuran Basic Attributes

Molecular Weight：

132.15900

Exact Mass：

132.16

EC Number：

244-427-2

UNII：

912RQB3DCW

DSSTox ID：

DTXSID30175871

HScode：

2932999099

Characteristics

PSA：

13.14000

XLogP3：

2.74120

Appearance：

Colorless to pale yellow transparent liquid

Density：

1.0568 g/cm³ @ Temp: 25 °C

Melting Point：

19ºC

Boiling Point：

197 °C

Flash Point：

73.2ºC

Refractive Index：

1.5535-1.5555

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.608mmHg at 25°C

Safety Information

Transport codes：

UN 1993

hazard class code：

R10

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

GHS Classification：

|Danger|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:132.16
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Exact Mass:132.057514874
Monoisotopic Mass:132.057514874
Topological Polar Surface Area:13.1
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methylbenzofuran

CAS No.: 21535-97-7

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