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1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide

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Name

1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide

EINECS N/A
CAS No. 27281-74-9 Density 1.49 g/cm3
PSA 77.26000 LogP 1.53010
Solubility N/A Melting Point 275 °C
Formula C8H8N4O Boiling Point 434.2°C at 760 mmHg
Molecular Weight 176.178 Flash Point 216.4°C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 27281-74-9 (3-AMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE) Hazard Symbols N/A
Synonyms

1,2,4-Benzotriazine,3-amino-7-methyl-, 1-oxide (8CI);7-Methyl-1,2,4-benzotriazin-3-amine 1-oxide;

Article Data 5

1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide Specification

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 %.

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

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

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