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| CAS No.: | 17852-67-4 |
|---|---|
| Name: | 4-(Methylsulfonyl)phenylhydrazine hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H10N2O2S.HCl |
| Molecular Weight: | 222.696 |
| Synonyms: | Hydrazine,[4-(methylsulfonyl)phenyl]-, monohydrochloride (9CI);Hydrazine,[p-(methylsulfonyl)phenyl]-, monohydrochloride (8CI);4-(Methylsulfonyl)phenylhydrazine hydrochloride;p-(Methylsulfonyl)phenylhydrazine hydrochloride; |
| EINECS: | 212-895-7 |
| Melting Point: | 202 °C |
| Boiling Point: | 418.7 °C at 760 mmHg |
| Flash Point: | 207 °C |
| Solubility: | soluble in water |
| Appearance: | off-white to light yellow crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 80.57000 |
| LogP: | 3.03180 |
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Specification
The 4-(Methylsulfonyl)phenylhydrazine hydrochloride, with the CAS registry number 17852-67-4, has the systematic name of [4-(methylsulfonyl)phenyl]hydrazine hydrochloride. It is a kind of off-white to light yellow crystalline powder. And the molecular formula of the chemical is C7H10N2O2S.HCl. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 4-(Methylsulfonyl)phenylhydrazine hydrochloride are as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.02; (8)ACD/KOC (pH 7.4): 31.91; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Flash Point: 207 °C; (14)Enthalpy of Vaporization: 67.23 kJ/mol; (15)Boiling Point: 418.7 °C at 760 mmHg; (16)Vapour Pressure: 3.22E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=S(=O)(c1ccc(NN)cc1)C
(2)InChI: InChI=1/C7H10N2O2S.ClH/c1-12(10,11)7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
(3)InChIKey: QVCMFSJTNVQJFG-UHFFFAOYAJ