| Identification | More | [Name]
1,2,3-BENZOTRIAZIN-4(3H)-ONE | [CAS]
90-16-4 | [Synonyms]
1,2,3-BENZOTRIAZIN-4(3H)-ONE
1,2,3-BENZOTRIAZINE-4(3H)-ONE
3,4-DIHYDRO-4-OXO-1,2,3-BENZOTRIAZINE
4-KETO-3H-1,2,3-BENZOTRIAZENE
4-KETO(3H)-3,4-DIHYDRO-1,2,3-BENZTRIAZINE
4-KETOBENZOTRIAZINE
4-KETOBENZTRIAZINE
BENZAZIMIDE
BENZO-1,2,3-TRIAZIN-4(3H)-ONE
1,2,3-benzotriazin-4-(1h)-one
1,2,3-benzotriazin-4(1h)-one
1,2,3-Benzotriazin-4-ol
1,2,3-benzotriazin-4-one
3H-1,2,3-Benzotriazin-4-one
4-keto-(3h)-1,2,3-benzotriazine
4-Ketobenz-1,2,3-triazine
4-Ketobenzotriazene
Benzazimidone
Benzoketotriazine
ceto-4benzotriazine-1,2,3 | [EINECS(EC#)]
201-971-5 | [Molecular Formula]
C7H5N3O | [MDL Number]
MFCD00052387 | [Molecular Weight]
147.13 | [MOL File]
90-16-4.mol |
| Chemical Properties | Back Directory | [Definition]
Bicyclic. | [Appearance]
Tan powder.
Soluble in alkaline solutions and organic bases. | [Melting point ]
216-218 °C (lit.) | [Boiling point ]
282℃ | [density ]
1.47 | [refractive index ]
1.5500 (estimate) | [Fp ]
125℃ | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Soluble in most organic solvents. | [form ]
Solid | [pka]
-4.67±0.20(Predicted) | [color ]
Needles from cyclohexane | [BRN ]
124996 | [InChIKey]
DMSSTTLDFWKBSX-UHFFFAOYSA-N | [Uses]
Organic synthesis. | [CAS DataBase Reference]
90-16-4(CAS DataBase Reference) | [EPA Substance Registry System]
1,2,3-Benzotriazin-4(1H)-one (90-16-4) |
| 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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DM0800000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [Hazardous Substances Data]
90-16-4(Hazardous Substances Data) | [Toxicity]
LD50 ipr-mus: 50 mg/kg NTIS** AD277-689 |
| Hazard Information | Back Directory | [Chemical Properties]
Tan powder.
Soluble in alkaline solutions and organic bases. | [General Description]
1,2,3-Benzotriazin-4(3H)-one is an 1,2,3-benzotriazine derivative. 1,2,3-Benzotriazin-4(3H)-one undergoes thermal condensation with α-amino acids to yield 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones. 1,2,3-benzotriazin-4(3H)-one on thermolysis yields quinazolino[3,2-c][1,2,3]benzotriazin-8-one. | [Safety Profile]
Poison by intraperitoneal route.Experimental reproductive effects. When heated todecomposition it emits toxic fumes of NOx. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)MS
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)1HNMR
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)13CNMR
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)IR1
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)IR2
1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)Raman
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