(4-FENIL-TIAZOL-2-YL) -HIDRAZINA Estructura molecular

3D Mol Similar

(4-FENIL-TIAZOL-2-YL) -HIDRAZINA

: IUPAC Nombre：(4-phenyl-1,3-thiazol-2-yl)hydrazine; CAS Registry Number: 34176-52-8; Peso molecular：191.25286

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1. Nombres y Identificadores

: 1.1 Nombre del producto; (4-FENIL-TIAZOL-2-YL) -HIDRAZINA; 1.2 Sinónimos; 2-HYDRAZINO-4-PHENYLTHIAZOLE, 97%4-Phenyl-2(3H)-thiazolone hydrazone2-hydrazinyl-4-phenylthiazole2-Hydrazino-4-phenylthiazole 97%

1.3 CAS Registry Number: 34176-52-8

1.4 CID: 98613

1.5 Fórmula molecular: C9H9N3S (isomer)

1.6 Inchi: InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)

1.7 InchiKey: VTOUNUQLXMNNMQ-UHFFFAOYSA-N

1.8 Canónico SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NN

1.9 Isómero SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NN

2. Propiedades

2.1 Densidad: 1.327

2.2 Punto de fusión: 163-167 ° C

2.3 Punto de Hierro: 383.8°Cat760mmHg

2.4 Índice refractivo: 1.702

2.5 Punto de Flash: 185.9°C

2.6 PSA: 79.18000

2.7 logP: 2.86900

2.8 pKa: 0.49±0.40(Predicted)

3. Seguridad y Manejo

3.1 Códigos de peligro: Xn

3.2 Frase R: 22 - 36

3.3 Frase S: 26

3.4 RIDADR: UN 2811 6.1 / PG 3

3.5 Wgk Alemania: 3

3.6 Seguridad y riesgos

Códigos de peligro	Xn
Frase R	22 - 36
Frase S	26
RIDADR	UN 2811 6.1 / PG 3

4. Datos químicos computacionales

Peso molecular: 191.25286g/mol
Fórmula molecular: C₉H₉N₃S
Compound Is Canonicalized: True
XLogP3-AA: 2.2
Exact Mass: 191.05171847
Monoisotopic Mass: 191.05171847
Complexity: 159
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 79.2
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAQYAAAADAiFXgCxkZJqEAikAyRiZACC8KlhCjsMqDQwJJiIIKKgkRGEIAhggAIIiCcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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6. información real del producto

17574-10-6 (4-PHENYL-THIAZOL-2-YL)-HYDRAZINE HYDROCHLORIDE

886494-89-9 [4-(2,4,5-TRIMETHYL-PHENYL)-THIAZOL-2-YL]-HYDRAZINE

575838-87-8 [5-(4-Chloro-phenyl)-thiazol-2-yl]-hydrazine

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14397-08-1 (4-Methyl-thiazol-2-yl)-hydrazine HCl

Última actualización : 2055944-48-2 2962823-66-9 2922371-01-3 1900697-03-1 2831410-90-1 859971-29-2 2826398-21-2 2672572-19-7 723260-09-1 2785323-68-2

Directorio

1. Nombres y Identificadores

: 1.1 Nombre del producto; 1.2 Sinónimos; 1.3 CAS Registry Number; 1.4 CID; 1.5 Fórmula molecular; 1.6 Inchi; 1.7 InchiKey; 1.8 Canónico SMILES; 1.9 Isómero SMILES

2. Propiedades

: 2.1 Densidad; 2.2 Punto de fusión; 2.3 Punto de Hierro; 2.4 Índice refractivo; 2.5 Punto de Flash; 2.6 PSA; 2.7 logP; 2.8 pKa

3. Seguridad y Manejo

: 3.1 Códigos de peligro; 3.2 Frase R; 3.3 Frase S; 3.4 RIDADR; 3.5 Wgk Alemania; 3.6 Seguridad y riesgos

4.Datos químicos computacionales

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