| Identification | More | [Name]
5-Chloro-2-methylbenzoxazole | [CAS]
19219-99-9 | [Synonyms]
2-METHYL-5-CHLORO BENZOXAZOLE
5-CHLORO-2-METHYLBENZO[D]OXAZOLE
5 CHLORO 2-METHYL BENZOXAZOL
5-CHLORO-2-METHYLBENZOXAZOLE
2-methyl-5-chlor bezoxazole
7-Chloro-2-Mercato Benzoxazole
Chloro-2-methylbenzoxazole
5-Chloro-2-methylbenzooxazole
2-Methyl-5-chloro
Benzoxazole, 5-chloro-2-methyl-
2-METHY-5-CHLOROBENZOXAZOLE
5-CHLORO-2-METHYLBENZOXAZOLE 98+%
5-Chloro-2-methylbenzoxazole, 99+% | [EINECS(EC#)]
242-888-4 | [Molecular Formula]
C8H6ClNO | [MDL Number]
MFCD00022850 | [Molecular Weight]
167.59 | [MOL File]
19219-99-9.mol |
| Chemical Properties | Back Directory | [Appearance]
BEIGE CRYSTALLINE CHUNKS | [Melting point ]
55-57 °C(lit.) | [Boiling point ]
218-220 °C(lit.) | [density ]
1.2295 (rough estimate) | [refractive index ]
1.5430 (estimate) | [storage temp. ]
Sealed in dry,2-8°C | [form ]
powder to crystal | [pka]
-0.45±0.10(Predicted) | [color ]
White to Gray to Brown | [InChI]
InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 | [InChIKey]
XVQGFGKAPKEUFT-UHFFFAOYSA-N | [SMILES]
O1C2=CC=C(Cl)C=C2N=C1C | [CAS DataBase Reference]
19219-99-9(CAS DataBase Reference) | [EPA Substance Registry System]
19219-99-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/39:Wear suitable protective clothing and eye/face protection . | [RIDADR ]
UN 1759 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
DM4790000
| [TSCA ]
TSCA listed | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
BEIGE CRYSTALLINE CHUNKS | [Synthesis]
General procedure for the synthesis of 2-methyl-5-chlorobenzoxazole from the compound (CAS: 1019187-32-6) as starting material: to a stirring solution of o-hydroxyaryl N-H ketoimine 1 (1 mmol) in solvent (2 mL) were added sequentially additives (if applicable, 0.2-1.0 mmol) and iodobenzene diacetate (PhI(OAc)2, 1.1-2.0 mmol). The reaction mixture was stirred at room temperature for 30 min before the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: pentane/ethyl acetate, 30-100:1, v/v) to afford the target product 2-methyl-5-chlorobenzoxazole. | [References]
[1] Tetrahedron, 2015, vol. 71, # 4, p. 700 - 708
[2] Patent: CN103951631, 2017, B. Location in patent: Paragraph 0044; 0046; 0047 |
|
|