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8.22316

Coumarin

for synthesis

Synonym(s):

Coumarin, 5,6-Benzo-2-pyrone

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About This Item

Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
91-64-5
Molecular Weight:
146.14
UNSPSC Code:
12352115
EC Index Number:
202-086-7
NACRES:
NA.22
MDL number:
MFCD00006850
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vapor pressure

1.3 hPa ( 106 °C)

Quality Level

200

assay

≥99.0% (HPLC)

form

crystals

potency

293 mg/kg LD50, oral (Rat)

mp

68-71 °C

transition temp

flash point 162 °C

density

0.935 g/cm3

storage temp.

2-30°C

SMILES string

O1c2c(cccc2)C=CC1=O

InChI

1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChI key

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

Analysis Note

Assay (HPLC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 68 °C
Melting range (upper value): ≤ 71 °C
Identity (IR): passes test

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Skin Sens. 1

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

323.6 °F - closed cup

flash_point_c

162 °C - closed cup

Certificates of Analysis (COA)

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