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基本情報
- CAS
2905-69-3- 標準SMILES
COC(=O)c1cc(Cl)ccc1Cl- InChIKey
SPJQBGGHUDNAIC-UHFFFAOYSA-N- 分子式
- C8H6Cl2O2
- 平均分子量
- 205.03 g/mol
- 単同位体質量
- 203.97448479
概要
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.
名称と識別子
- 優先名称
- Methyl 2,5-dichlorobenzoate
- IUPAC
- methyl 2,5-dichlorobenzoate
- 現地名
- 2,5-ジクロロ安息香酸メチル
- 英語名
- METHYL 2,5-DICHLOROBENZOATE
- 分子式
- C8H6Cl2O2
- 分子量
- 205.04
名称と別名
METHYL 2,5-DICHLOROBENZOATE2905-69-3Benzoic acid, 2,5-dichloro-, methyl esterJ07555O4HEDTXSID7022201CHEBI:132299RefChem:1089284DTXCID002201220-815-72,5-dichlorobenzoic acid methyl esterMethyl-2,5-dichlorobenzoateMFCD00000606
名称をさらに表示
2,5-ジクロロ安息香酸メチルメチル 2，5ジクロロ安息香酸2,5-ジクロロ安息香酸メチル, 99%メチル 2,5-ジクロロベンゾアート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
データベース識別子
- CAS
物性
構造計算による物性補完中
- XLogP
- 4.1
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 172
実験および物理化学的性質
PesticidesPesticides -> Plant Growth Regulators
Vapor Pressure0.01 [mmHg]
Physical DescriptionWhite crystalline solid; [MSDSonline]
物理化学的性質
- 融点
- 37 · 37-40 °C (lit.)
- 沸点
- 265.2 · 265.2±20.0 °C(Predicted)
- 比重(密度)
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- 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
- CAS データベース
- 2905 · 2905-69-3(CAS DataBase Reference)
- EPAの化学物質情報
- -2 · Methyl-2,5-dichlorobenzoate (2905-69-3)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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)
危険有害性情報
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
毒性情報
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%
化学と産業
用途と製造
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.
応用分野
用途有機合成原料。
使用Methyl 2,5-Dichlorobenzoate is used as a starting material in the preparations of polyphenylenes.
上流・下流製品情報
下流製品
サプライヤー1 社
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
補足説明
定義ChEBI: 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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