Grundinformationen
- CAS
2905-69-3- Standard-SMILES
COC(=O)c1cc(Cl)ccc1Cl- InChIKey
SPJQBGGHUDNAIC-UHFFFAOYSA-N- Summenformel
- C8H6Cl2O2
- Durchschnittliche Molmasse
- 205,03 g/mol
- Monoisotopische Masse
- 203,97448479
Überblick
Methyl 2,5-dichlorobenzoate is a methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines. It has a role as a plant growth regulator and an antifungal agrochemical. It is a dichlorobenzene and a methyl ester. It is functionally related to a 2,5-dichlorobenzoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2,5-dichlorobenzoate
- IUPAC
- methyl 2,5-dichlorobenzoate
- Lokaler Name
- Methyl-2,5-dichlorbenzoat
- Englischer Name
- METHYL 2,5-DICHLOROBENZOATE
- Summenformel
- C8H6Cl2O2
- Molmasse
- 205.04
Namen und Synonyme
METHYL 2,5-DICHLOROBENZOATE2905-69-3Benzoic acid, 2,5-dichloro-, methyl esterJ07555O4HEDTXSID7022201CHEBI:132299RefChem:1089284DTXCID002201220-815-72,5-dichlorobenzoic acid methyl esterMethyl-2,5-dichlorobenzoateMFCD00000606
Weitere Namen anzeigen
Dicamba-desmethoxyRARECHEM AL BF 04272,5-dichlorobenzoicLABOTEST-BB LT00847973eMethyl 2,5-dichlorobenzoateMethyl 2,5-dichlorobenzoate-99%2,5-dichloro-benzoicacimethylester2,5-dichlorobenzoic acid methyl ether
2,5-Dichlorobenzoic acid-methyl ester68214-43-7Benzoic acid, dichloro-, methyl esterMethyl dichlorobenzoateHSDB 5903METHYL2,5-DICHLOROBENZOATEEINECS 220-815-7Dichloro-ester
Datenbank-Bezeichner
- CAS
2905-69-3、68214-43-7- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Experimentelle und physikochemische Eigenschaften
PesticidesPesticides -> Plant Growth Regulators
Vapor Pressure0.01 [mmHg]
Physical DescriptionWhite crystalline solid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 37 · 37-40 °C (lit.)
- Siedepunkt
- 265.2 · 265.2±20.0 °C(Predicted)
- Dichte
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- BRN
- 2251582 · 2251582
- InChI
- 1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
- InChIKey
- SPJQBGGHUDNAIC-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cc(Cl)ccc1Cl
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P319, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationCommission Regulation (EC) No 1490/2002
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4
Toxikologische Informationen
Ecotoxicity Values
LC50 Pimephales promelas (fathead minnow) 14.4 (13.9-14.8) mg/l 24 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
LC50 Pimephales promelas (fathead minnow) 28.0 (26.3-29.9) mg/l 48 & 72 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
LC50 Pimephales promelas (fathead minnow) 27.2 (25.9-28.6) mg/l 96 hr, wt 184 mg, flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/l, water hardness 44.9 (42.4-46.6) mg/l as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/l CaCO3, temp: 26.4 +/- 1.4 °C, Purity 99%
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as plant growth regulator; [HSDB]
Farming (Pesticides) [Category: Industry]
General Manufacturing Information
Benzoic acid, 2,5-dichloro-, methyl ester: INACTIVE
Benzoic acid, dichloro-, methyl ester: INACTIVE
METHYL 2,5-DICHLOROBENZOATE (MCB) FUNCTIONS AS A PLANT GROWTH REGULATOR IN A GASEOUS PHASE OR IN AN AQUEOUS SOLN. SORGHUM & SOYBEAN SEEDS WERE TEMPORARILY INHIBITED OR DELAYED FROM GERMINATING, BUT OVERCAME THE INHIBITION IN TIME SO THERE WAS NO SIGNIFICANT REDN IN TOTAL GERMINATION. SEEDLINGS PRODUCED FROM SORGHUM & SOYBEAN SEED, GERMINATED & GROWN IN AQUEOUS SOLN OF 35 MUG/ML MCB WERE SHORTER & WEIGHED LESS THAN CONTROL SEEDLINGS.
Anwendungen
VerwendenMethyl 2,5-Dichlorobenzoate is used as a starting material in the preparations of polyphenylenes.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter1 Anbieter
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines.
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