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HCID 82009Erstellt: 27. Oktober 2026
5-Chloro-2-methylbenzoic acid
RARECHEM AL BO 0471 · 5-CHLORO-O-TOLUIC ACID · o-Toluic acid, 5-chloro- · 5-Chloro-2-methylbenzoic · 5-CHLORO-2-METHYLBENZOIC ACID · 3-CHLORO-6-METHYLBENZOIC ACID · Benzoic acid, 5-chloro-2-methyl- · 5-Chloro-2-methylbenzoic Acid >4-(CHLOROMETHYL)BENZOIC ACID 99+%
https://huagongshe.com/de/chemical/82009
Identifikatoren & physikalische Daten
| CAS No. | 7499-06-1 |
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| Summenformel | C8H7ClO2 |
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| Durchschnittliche Molmasse | 170,59 g/mol |
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| Monoisotopische Masse | 170,01345714 g/mol |
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| SMILES | Cc1ccc(Cl)cc1C(=O)O |
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| InChIKey | CSAPESWNZDOAFU-UHFFFAOYSA-N |
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| PubChem CID | 82009 |
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| ChEBI | CHEBI:166854 |
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| EC No. | 627-760-1 |
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| DTXSID | DTXSID70225945 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Schmelzpunkt | 168-173 °C |
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| Siedepunkt | 293.5±20.0 °C(Predicted) |
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| Dichte | 1.310±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.50±0.25(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
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| InChIKey | CSAPESWNZDOAFU-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC(Cl)=CC=C1C |
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| CAS Datenbank | 7499-06-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Cease Manufacture Update: 07-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17881 |
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| Hazard Classes and Categories | Acute Tox. 4 (93%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 36/37/38-41-37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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