| Identification | More | [Name]
6-Nitrobenzothiazole | [CAS]
2942-06-5 | [Synonyms]
6-NITROBENZOTHIAZOLE
6-Nitro-1,3-benzothiazole
Benzothiazole, 6-nitro-
Benzothiazole, 6-nitro-(6CI,7CI,8CI,9CI)
6-NITROBENZOTHIAZOLE 98+% | [EINECS(EC#)]
220-933-9 | [Molecular Formula]
C7H4N2O2S | [MDL Number]
MFCD00014569 | [Molecular Weight]
180.18 | [MOL File]
2942-06-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
175-178 °C (lit.) | [Boiling point ]
333.7±15.0 °C(Predicted) | [density ]
1.525±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
-1.33±0.10(Predicted) | [Appearance]
Light yellow to light brown Solid | [BRN ]
7824 | [InChI]
InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H | [InChIKey]
QLUFBCVWKTWKBF-UHFFFAOYSA-N | [SMILES]
S1C2=CC([N+]([O-])=O)=CC=C2N=C1 | [CAS DataBase Reference]
2942-06-5(CAS DataBase Reference) | [NIST Chemistry Reference]
6-Nitrobenzothiazole(2942-06-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29342000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Uses]
6-Nitrobenzothiazole may be used in the preparation of 4-amino-3-sulfanylbenzonitrile and 2-amino-5-nitrobenzothiole, via alkaline hydrolysis. | [Uses]
A related compound of 1,2,3-benzothiadiazoles | [General Description]
The XCORFE (Xnucleus-proton correlation with fixed evolution time) pulse sequence of 6-nitrobenzothiazole has been tested. |
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