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CAS No.: | 27281-74-9 |
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Name: | 3-AMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8N4O |
Molecular Weight: | 176.178 |
Synonyms: | 1,2,4-Benzotriazine,3-amino-7-methyl-, 1-oxide (8CI);7-Methyl-1,2,4-benzotriazin-3-amine 1-oxide; |
Density: | 1.49 g/cm3 |
Melting Point: | 275 °C |
Boiling Point: | 434.2°C at 760 mmHg |
Flash Point: | 216.4°C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 77.26000 |
LogP: | 1.53010 |
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This chemical is called 1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide, and its systematic name is 7-methyl-1,2,4-benzotriazin-3-amine 1-oxide. With the molecular formula of C8H8N4O, its molecular weight is 176.18. The CAS registry number of this chemical is 27281-74-9.
Other characteristics of the 1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide can be summarised as followings: (1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.13; (8)ACD/KOC (pH 7.4): 3.23; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.13 Å2; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 46.95 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 18.61×10-24cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 216.4 °C; (20)Enthalpy of Vaporization: 69.03 kJ/mol; (21)Boiling Point: 434.2 °C at 760 mmHg; (22)Vapour Pressure: 9.65E-08 mmHg at 25°C.
Uses of this chemical: The 1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide could react with dimethoxymethyl-dimethyl-amine to obtain the N,N-dimethyl-N'-(7-methyl-1-oxy-benzo[e][1,2,4]triazin-3-yl)-formamidine. The yield is 61 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][n+]2nc(nc1c2cc(cc1)C)N
2.InChI: InChI=1/C8H8N4O/c1-5-2-3-6-7(4-5)12(13)11-8(9)10-6/h2-4H,1H3,(H2,9,10,11)
3.InChIKey: YXSUQKGKNZZCMV-UHFFFAOYAK