HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylbenzylamin
M-TolylMethanaMine · 3-Xylylamine · M-XYLYLAMINE · α-Amino-m-xylene · M-METHYLBENZYLAMINE · RARECHEM AL BW 0164 · 3-METHYLBENZYLAMINE · 3-Methyl-Benzylamin
Identifikatoren & physikalische Daten
| CAS No. | 100-81-2 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | Cc1cccc(CN)c1 |
| InChIKey | RGXUCUWVGKLACF-UHFFFAOYSA-N |
| PubChem CID | 66015 |
| ChEMBL | CHEMBL274573 |
| EC No. | 202-890-8 |
| DTXSID | DTXSID3059218 |
| Lokaler Name | 3-Methylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 19.71°C (estimate) |
| Siedepunkt | 202-205 °C(lit.) |
| Dichte | 0.966 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.536(lit.) |
| Flammpunkt | 177 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 9.13±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| BRN | 507474 |
| InChI | 1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3 |
| InChIKey | RGXUCUWVGKLACF-UHFFFAOYSA-N |
| SMILES | Cc1cccc(CN)c1 |
| CAS Datenbank | 100-81-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 3-methyl-(100-81-2) |
| EPA chemische Informationen | Benzenemethanamine, 3-methyl- (100-81-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214200 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-). It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.