Grundinformationen
- Standard-SMILES
Cc1ccc(S(=O)(=O)NN)cc1- InChIKey
ICGLPKIVTVWCFT-UHFFFAOYSA-N- Summenformel
- C7H10N2O2S
- Durchschnittliche Molmasse
- 186,23 g/mol
- Monoisotopische Masse
- 186,04629856
Namen und Bezeichner
- Bevorzugter Name
- P-Toluenesulfonylhydrazide
- IUPAC
- 4-methylbenzenesulfonohydrazide
- Lokaler Name
- Toluol-4-sulfonohydrazid
- Englischer Name
- 4-Methylbenzenesulfonhydrazide
- Summenformel
- C7H10N2O2S
- Molmasse
- 186.23
Namen und Synonyme
1576-35-84-Methylbenzenesulfonohydrazidep-Toluenesulfonyl hydrazideTosylhydrazineTosylhydrazideBenzenesulfonic acid, 4-methyl-, hydrazideP-TOLUENESULFONYLHYDRAZIDEToluene-4-sulphonohydrazidep-toluenesulfonohydrazide(p-Tolylsulfonyl)hydrazine4-Methylbenzenesulfonyl hydrazideTsNHNH2
Weitere Namen anzeigen
TSHPTSHTOLUENE-4-SULFONIC ACID HYDRAZIDEP-TOLUENESULFONHYDRAZIDEP-TOLUENESULFONYLHYDRAZINE4-TOLUENESULFONYL HYDRAZIDE
CELLMIC HN-TOSYLHYDRAZINE4-tosylsulphonylhydrazineP-TOSYL HYDRAZIDENSC-18715POROFOR TSH 75Toluene-4-sulfonohydrazide4-METHYLPHENYLSULFONYL HYDRAZIDE
Datenbank-Bezeichner
- CAS
1576-35-8- PubChem CID
- 15303
- DTXSID
DTXSID8051756- ChEMBL
CHEMBL221182- UNII
- LR93R5002M
- EC Number
- 216-407-3
- Nikkaji
- J40.602C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 80,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 224
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Hydrazides
Physical Description
Liquid
White solid; [Merck Index] White nearly odorless powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 · 103-108 °C(lit.)
- Siedepunkt
- 340.5 · 340.5±35.0 °C(Predicted)
- Dichte
- 1.42 g/cm3 · 1.42g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.54 · 1.5400 (estimate)
- Flammpunkt
- 60 °C · 60°C
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 5 g/l · 5g/l
- Aggregatzustand
- Powder
- pka
- 9.39 · 9.39±0.10(Predicted)
- Farbe
- White or off-white to slightly grayish
- Wasserlöslichkeit
- 5 g/L · 5 g/L (15 ºC)
- BRN
- 610130 · 610130
- Stabilität
- Light Sensitive
- InChI
- 1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
- InChIKey
- ICGLPKIVTVWCFT-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)NN
- LogP
- 0.55 at · 0.55 at 25℃
- CAS Datenbank
- 1576 · 1576-35-8(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzenesulfonic acid, 4-methyl-, hydrazide (1576-35-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H242 (66.7%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P203, P210, P234, P235, P240, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonic acid, 4-methyl-, hydrazide
Benzenesulfonic acid, 4-methyl-, hydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-methyl-, hydrazide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23441
4-Toluenesulphonohydrazide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and convulsions in oral lethal-dose studies of rats; [RTECS] May explode if heated under confinement; Temperatures above 120 deg C or prolonged temperatures above 50 deg C can cause exothermic decomposition with evolution of gas; A mild eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Carbohydrazide. See Dansyl hydrazine. See p,p'-Oxybis(benzenesulfonyl hydrazide).
Hazard Classes and Categories
Self-react. D (66.7%)
Self-reactive substances and mixtures - Type D
Self-react. D
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3226 4.1
- hs_code
- 29280090
- RTECS-Nr.
- MW0210000
- risk_code
- 11-22-44-2017/11/22
- hazard_code
- F,Xn
- safety_code
- 16-26
- hazard_class
- 4.1
- packing_group
- II
- Speicherklasse
- 5.2 - Organic peroxides and self-reacting hazardous materials
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2Self-react. D
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a reagent and scavenger; [Merck Index]
U.S. Production2022: 28,103 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzenesulfonic acid, 4-methyl-, hydrazide: ACTIVE
Anwendungen
Verwenden4-Methylbenzenesulfonhydrazide was widely used reagent for the preparation of tosylhydrazones.
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