HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-p-toluidin
oro-4-methyL · 2-Chlor-4-toluidin · 2-chloro-p-toluidin · 2-chlor-4-toluidine · 2-CHLORO-4-TOLUIDINE · 2-CHLORO-P-TOLUIDINE · 2-Chloro-4-methylani · p-Toluidine, 2-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 615-65-6 |
|---|---|
| Summenformel | C7H8ClN |
| Durchschnittliche Molmasse | 141,6 g/mol |
| Monoisotopische Masse | 141,03452694 g/mol |
| SMILES | Cc1ccc(N)c(Cl)c1 |
| InChIKey | XGYLSRFSXKAYCR-UHFFFAOYSA-N |
| PubChem CID | 12007 |
| EC No. | 210-440-7 |
| DTXSID | DTXSID3022083 |
| Lokaler Name | 2-Chlor-p-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| Dichte | 1.151 @ 20 °C1.151 g/mL at 25 °C (lit.) |
| Löslichkeit | SLIGHTLY SOL IN WATER, ACETONEmethanol: soluble |
| Siedepunkt | 219 °C @ 732 MM HG223-225 °C (lit.) |
| Schmelzpunkt | 7 °C7 °C (lit.) |
| Brechungsindex | INDEX OF REFRACTION: 1.5748 @ 22 °C/Dn20/D 1.575(lit.) |
| Physical Description | Pale yellow liquid[MSDSonline] |
| Flammpunkt | 211 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.09±0.10(Predicted) |
| Farbe | Clear yellow to pale brown |
| BRN | 774514 |
| Stabilität | Acid Sensitive, Light Sensitive |
| InChI | 1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 |
| InChIKey | XGYLSRFSXKAYCR-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(Cl)c1 |
| CAS Datenbank | 615-65-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-chloro-4-methyl-(615-65-6) |
| EPA chemische Informationen | Benzenamine, 2-chloro-4-methyl- (615-65-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A mutagen and severe skin irritant[RTECS] Emergency treatment: MethemoglobinemiaChlorotoluidines may cause hemorrhagic cystitis[HSDB] An irritantMay induce methemoglobinemia[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Human Toxicity Excerpts | THE TOLUIDINES (BOTH O- AND P-) MAY PRODUCE TRANSIENT HEMATURIA AS WELL AS METHEMOGLOBINEMIA AFTER HEAVY EXPOSURES, BUT CHLORO-DERIVATIVES ARE MORE POTENT IN THIS RESPECT, ESPECIALLY 5-CHLORO-O-TOLUIDINE... /TOLUIDINES/THE CYSTITIS RELATED TO THESE ANILINE DERIVATIVES HAS NO RELATIONSHIP TO CARCINOGENIC AMINE-RELATED PROCESSES. /CHLOROTOLUIDINES/...HEMATURIA MAY BE OBSERVED IN MEN HANDLING CHLOROTOLUIDINES. ...MAY BE A HEMORRHAGIC CYSTITIS WITH PAINFUL & FREQUENT MICTURITION. THIS ACUTE PROBLEM... NO LONG TERM SIGNIFICANCE & CLEARS...ON CESSATION... IF...PERSISTS, OTHER PATHOLOGICAL URINARY TRACE PHENOMENA MUST BE CONSIDERED. /CHLOROTOLUIDINES/ |
| Non-Human Toxicity Excerpts | SEVERAL SUBSTITUTED ALKYL- & HALOANILINES WERE TESTED FOR THEIR ABILITY TO MUTATE SALMONELLA TYPHIMURIUM & TO DAMAGE DNA OF MAMMALIAN (CHINESE HAMSTER LUNG V79) CELLS. 4-METHYL-2-CHLOROANILINE WAS A STRONG MUTAGEN. |
| Non-Human Toxicity Values | MUTATION/METABOLIC ACTIVATION SALMONELLA TYPHIMURIUM MUTATION DOSE 1 UMOL/PLATE |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3429 6.1/PG III (CHLOROTOLUIDINES, LIQUID) |
| Zollcode | 29214200 |
| RTECS-Nr. | XU5110000 |
| R-Sätze (R) | 20/21/22-36/37/38-22-33 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 36/37-37/39-26-45-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 615-65-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-methylaniline is an intermediate used to prepare reverse transcriptase inhibitors of HIV-1.