1,2-Benzisothiazol-3-amine,5-nitro- supplier

Name
3-AMINO-5-NITROBENZOISOTHIAZOLE
EINECS
CAS No. 84387-89-3
Density 1.621 g/cm³
Solubility
Melting Point 250 °C (dec.)(lit.)
Formula C₇H₅N₃O₂S
Boiling Point 316.5 °C at 760 mmHg
Molecular Weight 195.202
Flash Point 145.2 °C
Transport Information
Appearance orange to red powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-5-nitrobenzisothiazole;3-Amino-5-nitrobenzo[d]isothiazole;3-Amino-5-nitrobenzoisothiazole;5-Nitrobenzo[d]isothiazol-3-ylamine;1,2-benzisothiazol-3-amine, 5-nitro-;3-Amino-5-nitrobenzoisothiazole;5-nitro-1,2-benzisothiazol-3-amine;5-Nitro-1,2-benzothiazol-3-amine;
PSA 112.97000
LogP 2.89110

1,2-Benzisothiazol-3-amine,5-nitro- Specification

The 1,2-Benzisothiazol-3-amine,5-nitro-, with the CAS registry number 84387-89-3, has the systematic name and IUPAC name of 5-nitro-1,2-benzothiazol-3-amine. It is a kind of orange to red powder, and the molecular formula of the chemical is C₇H₅N₃O₂S.

The characteristics of 1,2-Benzisothiazol-3-amine,5-nitro- are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 3.2; (7)ACD/KOC (pH 5.5): 68.27; (8)ACD/KOC (pH 7.4): 79.99; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 90.19 Å²; (13)Index of Refraction: 1.797; (14)Molar Refractivity: 51.35 cm³; (15)Molar Volume: 120.3 cm³; (16)Polarizability: 20.35×10^-24cm³; (17)Surface Tension: 89 dyne/cm; (18)Density: 1.621 g/cm³; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00041 mmHg at 25°C.

Uses of 1,2-Benzisothiazol-3-amine,5-nitro-: It can react with cyanic acid; potassium salt to produce (5-nitro-benzo[d]isothiazol-3-yl)-urea. This reaction will need menstruum acetic acid and H₂O. And the yield is about 77%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(snc1N)cc2
(2)InChI: InChI=1/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9)
(3)InChIKey: LDTCWISGJYTXDC-UHFFFAOYAC

Product Name

3-AMINO-5-NITROBENZOISOTHIAZOLE

1,2-Benzisothiazol-3-amine,5-nitro- Specification

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