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5-FLUOROBENZO[D]OXAZOLE-2-THIOL

CAS No.
13451-78-0
Chemical Name:
5-FLUOROBENZO[D]OXAZOLE-2-THIOL
Synonyms
5-Fluorobenzoxazole-2-thiol;5-Fluorobenzo[d]oxazol-2-thiol;2-Mercapto-5-fluorobenzoxazole;5-Fluorobenzoxazole-2-thiol 97%;5-FLUOROBENZO[D]OXAZOLE-2-THIOL;5-Fluoro-2(3H)-benzoxazolethiene;5-Fluorobenzoxazole-2(3H)-thione;5-Fluorobenzoxazole-2-thiol, 97%,;2(3H)-Benzoxazolethione, 5-fluoro-;5-Fluorobenzoxazole-2-thiol
CBNumber:
CB4341448
Molecular Formula:
C7H4FNOS
Molecular Weight:
169.18
MDL Number:
MFCD08447021
MOL File:
13451-78-0.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 05:49:19
Product description Number Pack Size Price
5-Fluorobenzoxazole-2-thiol 97% 699969 1g $72.1
5-Fluorobenzo[d]oxazole-2-thiol Asreported 277949 500mg $333
5-Fluorobenzo[d]oxazole-2-thiol Asreported 277949 1g $456
5-Fluorobenzo[d]oxazole-2-thiol Asreported 277949 2g $649
5-Fluorobenzo[d]oxazole-2-thiol Asreported 277949 5g $877
More product size

5-FLUOROBENZO[D]OXAZOLE-2-THIOL Properties

Melting point 238-240℃
Boiling point 238.8±42.0 °C(Predicted)
Density 1.51±0.1 g/cm3(Predicted)
storage temp. 2-8°C
pka 10.10±0.20(Predicted)
form powder
Appearance Off-white to pink Solid
Sensitive Moisture & Light Sensitive
InChI 1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKey UVHVJSJZCPFGET-UHFFFAOYSA-N
SMILES Fc1ccc2oc(S)nc2c1
CAS DataBase Reference 13451-78-0
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H318
Precautionary statements  P280-P301+P312+P330-P305+P351+P338+P310
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xn
Risk Statements  22-41
Safety Statements  26-39-24/25
WGK Germany  3
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
NFPA 704
1
2 0

5-FLUOROBENZO[D]OXAZOLE-2-THIOL price More Price(48)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 699969 5-Fluorobenzoxazole-2-thiol 97% 13451-78-0 1g $72.1 2023-06-20 Buy
Usbiological 277949 5-Fluorobenzo[d]oxazole-2-thiol Asreported 13451-78-0 500mg $333 2026-06-03 Buy
Usbiological 277949 5-Fluorobenzo[d]oxazole-2-thiol Asreported 13451-78-0 1g $456 2026-06-03 Buy
Usbiological 277949 5-Fluorobenzo[d]oxazole-2-thiol Asreported 13451-78-0 2g $649 2026-06-03 Buy
Usbiological 277949 5-Fluorobenzo[d]oxazole-2-thiol Asreported 13451-78-0 5g $877 2026-06-03 Buy
Product number Packaging Price Buy
699969 1g $72.1 Buy
277949 500mg $333 Buy
277949 1g $456 Buy
277949 2g $649 Buy
277949 5g $877 Buy

5-FLUOROBENZO[D]OXAZOLE-2-THIOL Chemical Properties,Uses,Production

Synthesis

Carbon disulfide

75-15-0

2-AMINO-4-FLUOROPHENOL

399-97-3

5-FLUOROBENZO[D]OXAZOLE-2-THIOL

13451-78-0

2-Amino-4-fluorophenol (10 g, 78.8 mmol), carbon disulfide (35 mL) and potassium hydroxide (5.3 g, 94.6 mmol) were mixed in ethanol (200 mL) and heated to reflux the reaction overnight. Upon completion of the reaction, the reaction mixture was concentrated to dryness and subsequently diluted with water. The diluted solution was neutralized with 1 M hydrochloric acid solution and then extracted several times with ethyl acetate. The organic phases were combined, washed with saturated brine, dried over anhydrous sodium sulfate, and finally concentrated under vacuum to give 5-fluorobenzo[d]oxazole-2-thiol 9.3 g in 70% yield. The product was identified by 1H NMR (300MHz, DMSO-d6): δ7.51 (ddd, J=8.8,4.2,0.6Hz, 1H), 7.15-7.04 (m, 2H), 3.31 (brs, 1H). lC-MS (m/z): 170.2.

References

[1] Patent: WO2017/23941, 2017, A1. Location in patent: Page/Page column 50; 51
[2] Journal of Medicinal Chemistry, 1994, vol. 37, # 7, p. 913 - 923
[3] Journal of Medicinal Chemistry, 1998, vol. 41, # 16, p. 3015 - 3021
[4] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 10, p. 3515 - 3523
[5] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 9, p. 3044 - 3049

399-97-3
140-89-6
13451-78-0
Synthesis of 5-FLUOROBENZO[D]OXAZOLE-2-THIOL from 2-AMINO-4-FLUOROPHENOL and Potassium ethylxanthate

5-FLUOROBENZO[D]OXAZOLE-2-THIOL Preparation Products And Raw materials

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Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84

View Lastest Price from 5-FLUOROBENZO[D]OXAZOLE-2-THIOL manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
5-Fluorobenzo[d]oxazole-2-thiol pictures 2022-01-15 5-Fluorobenzo[d]oxazole-2-thiol
13451-78-0
1KG 99.2% 100 tons Honest Joy Holdings Limited
5-FLUOROBENZO[D]OXAZOLE-2-THIOL pictures 2020-02-21 5-FLUOROBENZO[D]OXAZOLE-2-THIOL
13451-78-0
$3.00 1KG 98% 200KG Career Henan Chemical Co

5-FLUOROBENZO[D]OXAZOLE-2-THIOL Spectrum

5-FLUOROBENZO[D]OXAZOLE-2-THIOL 5-Fluoro-2(3H)-benzoxazolethiene 5-Fluorobenzoxazole-2-thiol JR-8607, 5-Fluorobenzo[d]oxazole-2-thiol, 97% 5-Fluorobenzoxazole-2(3H)-thione 2-Mercapto-5-fluorobenzoxazole 5-Fluorobenzoxazole-2-thiol 97% 2(3H)-Benzoxazolethione, 5-fluoro- 5-Fluorobenzoxazole-2-thiol, 97%, 5-Fluorobenzoxazole-2-thiol 5-Fluorobenzo[d]oxazol-2-thiol 13451-78-0 C7H4FNOS