CAS
1053164-76-3 Purity
96%
1053164-76-3 Purity
96%
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5-methylbenzooxazole
CAS
10531-78-9
Catalog Number
ACM10531789
Category
Other Products
Molecular Weight
133.15
Molecular Formula
C8H7NO
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Specification
Synonyms
ZINC00163954, CID2724970, 6X-0820, 10531-78-9
IUPAC Name
5-methyl-1,3-benzoxazole
Canonical SMILES
CC1=CC2=C(C=C1)OC=N2
InChI Key
UBIAVBGIRDRQLD-UHFFFAOYSA-N
Boiling Point
96ºC / 15mmHg
Melting Point
41-44ºC
Flash Point
76.7ºC
Density
1.149g/cm³
Appearance
YELLOW TO BROWN CRYSTALLINE SOLID
Exact Mass
133.05300
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S37/39
Upstream Synthesis Route 1
- 122-51-0
- 95-84-1
- 10531-78-9
Reference: [1] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 87 - 91
Upstream Synthesis Route 2
- 95-84-1
- 149-73-5
- 10531-78-9
Reference: [1] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 87 - 91
[2] Combinatorial Chemistry and High Throughput Screening, 2013, vol. 16, # 8, p. 618 - 627
[3] Journal of Chemical Sciences, 2014, vol. 126, # 3, p. 579 - 585
[4] Chemistry - A European Journal, 2011, vol. 17, # 3, p. 761 - 765
Upstream Synthesis Route 3
- 1263039-73-1
- 10531-78-9
- 1263039-65-1
Reference: [1] Angewandte Chemie - International Edition, 2010, vol. 49, # 51, p. 9899 - 9903
Upstream Synthesis Route 4
- 122-51-0
- 95-84-1
- 10531-78-9
Reference: [1]Monatshefte fur Chemie,2011,vol. 142,p. 87 - 91
Downstream Synthesis Route 1
- 10531-78-9
- 181038-98-2
Reference: [1]Patent: US2006/173183,2006,A1 .Location in patent: Page/Page column 97
Downstream Synthesis Route 2
- 110-91-8
- 10531-78-9
- 2881-53-0
Reference: [1]Journal of Organic Chemistry,2014,vol. 79,p. 9613 - 9618
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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