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Merck
CN

108936

2-Methylbenzoxazole

99%

Synonym(s):

2-Methyl-1,3-benzoxazole, 2-Methyl-4,5-benzoxazole

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About This Item

Empirical Formula (Hill Notation):
C8H7NO
CAS Number:
95-21-6
Molecular Weight:
133.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846841
EC Number:
202-399-9
Beilstein/REAXYS Number:
112297
MDL number:
MFCD00005771
Assay:
99%

Key Documents

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InChI key

DQSHFKPKFISSNM-UHFFFAOYSA-N

InChI

1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

SMILES string

Cc1nc2ccccc2o1

assay

99%

refractive index

n20/D 1.550 (lit.)

bp

178 °C (lit.)

mp

5-10 °C (lit.)

density

1.121 g/mL at 25 °C (lit.)

Biochem/physiol Actions

2-Methylbenzoxazole condenses with aromatic aldehyde having acidic protons during the synthesis of HIV-reverse transcriptase inhibitor L-696,299. 2-Methylbenzoxazole has been used in synthesis of bis-styryl dyes.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ0626V
08112LW
00716CV
93116DZ
09204PF

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Condensation of 2-methylbenzoxazole with aromatic aldehydes bearing acidic protons. A convenient coupling in the synthesis of the HIV-reverse transcriptase inhibitor L-696,229.
Houpis IN, et al.
The Journal of Organic Chemistry, 58(11), 3176-3178 (1993)
Styryl dyes-synthesis and applications during the last 15 years.
Deligeorgiev T, et al.
Coloration Technology, 126(2), 55-80 (2010)

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