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Cas Database |
| Name |
3-Methyl-2-benzothiazolone hydrazone |
EINECS | 214-440-8 |
| CAS No. | 1128-67-2 | Density | 1.37g/cm3 |
| PSA | 71.55000 | LogP | 1.71450 |
| Solubility | N/A | Melting Point |
144°C |
| Formula | C8H9 N3 S | Boiling Point | 342.9°Cat760mmHg |
| Molecular Weight | 179.246 | Flash Point | 161.2°C |
| Transport Information | N/A | Appearance | white to beige crystalline powder |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | R25; R36 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Benzothiazolinone,3-methyl-, hydrazone (6CI,7CI,8CI);(3-Methyl-2-benzothiazolinylidene)hydrazine;3-Methyl-2-benzothiazolinonehydrazone;3-Methyl-2-benzothiazolone hydrazone;Besthorn's hydrazone;MBTH;N-Methyl-2-benzothiazolinone hydrazone;N-Methyl-2-benzothiazolone hydrazone; |
Article Data | 14 |
3-Methyl-2-benzothiazolone hydrazone Chemical Properties
Molecule structure of 3-Methyl-2-benzothiazolone hydrazone (CAS NO.1128-67-2) :
IUPAC Name: (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
Molecular Weight: 179.24216 g/mol
Molecular Formula: C8H9N3S
Density: 1.37 g/cm3
Boiling Point: 342.9 °C at 760 mmHg
Flash Point: 161.2 °C
Index of Refraction: 1.709
Molar Refractivity: 50.86 cm3
Molar Volume: 130.1 cm3
Polarizability: 20.16*10-24 cm3
Surface Tension: 56.3 dyne/cm
Enthalpy of Vaporization: 58.67 kJ/mol
Vapour Pressure: 7.31E-05 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Exact Mass: 179.051718
MonoIsotopic Mass: 179.051718
Topological Polar Surface Area: 41.6
Heavy Atom Count: 12
Complexity: 205
Canonical SMILES: CN1C2=CC=CC=C2SC1=NN
Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=N\N
InChI: InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3/b10-8-
InChIKey: PHOLIFLKGONSGY-NTMALXAHSA-N
EINECS of 3-Methyl-2-benzothiazolone hydrazone (CAS NO.1128-67-2): 214-440-8
3-Methyl-2-benzothiazolone hydrazone Toxicity Data With Reference
| 1. | ipr-rat LD50:135 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 36 (1976),201. | ||
| 2. | ipr-mus LD50:119 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 36 (1976),201. |
3-Methyl-2-benzothiazolone hydrazone Consensus Reports
Reported in EPA TSCA Inventory.
3-Methyl-2-benzothiazolone hydrazone Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
3-Methyl-2-benzothiazolone hydrazone Specification
3-Methyl-2-benzothiazolone hydrazone (CAS NO.1128-67-2) is also called 2(3H)-Benzothiazolone, 3-methyl-, hydrazone ; 3-Methyl-2-benzothiazolinone hydrazone ; 4-27-00-02695 (Beilstein Handbook Reference) ; BRN 0149612 ; Besthorn's hydrazone ; MBTH ; 2-Benzothiazolone, 3-methyl-, hydrazone ; 3-Methylbenzothiazol-2(3H)-one hydrazone .
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