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CAS No.: | 1128-67-2 |
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Name: | MBTH INDICATOR |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H9 N3 S |
Molecular Weight: | 179.246 |
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; |
EINECS: | 214-440-8 |
Density: | 1.37g/cm3 |
Melting Point: | 144°C |
Boiling Point: | 342.9°Cat760mmHg |
Flash Point: | 161.2°C |
Appearance: | white to beige crystalline powder |
Risk Codes: | R25; R36 |
Safety: | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
PSA: | 71.55000 |
LogP: | 1.71450 |
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
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. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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 .