HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 71018Erstellt: 26. Oktober 2026
4-(Bis(2-chloroethyl)amino)benzaldehyde
WLN: VHR DN2G2G · p-Bis(beta-chloroe · TIMTEC-BB SBB007649 · BENZALDEHYDE NITROGEN MUSTARD · 4-Bis(B-Chloroethyl)Aminobenzaldehyde · p-Bis(2-chloroethyl)aminobenzaldehyde · 4-[Bis(-chloroethyl)amino]benzaldehyde · p-(bis(2-chloroethyl)amino)-benzaldehyd
https://huagongshe.com/de/chemical/71018
Identifikatoren & physikalische Daten
| CAS No. | 1208-03-3 |
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| Summenformel | C11H13Cl2NO |
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| Durchschnittliche Molmasse | 246,13 g/mol |
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| Monoisotopische Masse | 245,0374194 g/mol |
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| SMILES | O=Cc1ccc(N(CCCl)CCCl)cc1 |
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| InChIKey | PXUFHXLGUJLBMI-UHFFFAOYSA-N |
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| PubChem CID | 71018 |
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| ChEMBL | CHEMBL1873460 |
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| EC No. | 626-396-0 |
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| DTXSID | DTXSID50153010 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 20,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 175 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Schmelzpunkt | 86-90 °C |
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| Siedepunkt | 384.8±37.0 °C(Predicted) |
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| Dichte | 1.263±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C, stored under nitrogen |
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| pKa (Säurekonstante) | 1.02±0.50(Predicted) |
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| InChI | 1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2 |
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| InChIKey | PXUFHXLGUJLBMI-UHFFFAOYSA-N |
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| SMILES | ClCCN(CCCl)c1ccc(C=O)cc1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2923 8/PG 3 |
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| RTECS-Nr. | CU4800000 |
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| R-Sätze (R) | 22-34 |
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| Toxizität | mouse,LD50,intraperitoneal,512mg/kg (512mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965. |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B |
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