基本情報
- CAS
15165-67-0- 標準SMILES
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O- InChIKey
MZHCENGPTKEIGP-RXMQYKEDSA-N- 分子式
- C9H8Cl2O3
- 平均分子量
- 235.06 g/mol
- 単同位体質量
- 233.9850495
名称と識別子
- 優先名称
- Dichlorprop-P
- IUPAC
- (2R)-2-(2,4-dichlorophenoxy)propanoic acid
- 現地名
- (R)-2-(2,4-ジクロロフェノキシ)プロピオン酸
- 英語名
- (R)-2-(2,4-Dichlorophenoxy)propanoic acid
- 分子式
- C9H8Cl2O3
- 分子量
- 235.06
名称と別名
Dichlorprop-P15165-67-0(R)-Dichlorprop(+)-Dichlorprop(2R)-2-(2,4-dichlorophenoxy)propanoic acidOptica DPDichlorprop, D-Dichlorprop-P [ISO:BSI]D-dichlorpropDTXSID0034851UNII-0UD1MQP96O(R)-DCPP
名称をさらに表示
(R)-2-(2,4-ジクロロフェノキシ)プロピオン酸(+)-2-(2,4-ジクロロフェノキシ)プロパン酸(2R)-2-(2,4-ジクロロフェノキシ)プロピオン酸(R)-2-(2,4-ジクロロフェノキシ)プロパン酸ジクロルプロップp(2R)-2-(2,4-ジクロロフェノキシ)プロパン酸(+)-2-(2,4-ジクロロフェノキシ)プロピオン酸ジクロロプロップ-Pジクロルプロップ-P(+)-(R)-2-(2,4-ジクロロフェノキシ)プロパン酸AHM 867DuplosanduplosandpPS44_SUPELCODICHLOROPROP-PD(+)-DICHLORPROP
0UD1MQP96OBRN 3203102CORASILPropanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-Propionic acid, 2-(2,4-dichlorophenoxy)-, (+)-(R)-(+)-dichlorpropDICHLORPROP-P [ISO]DICHLORPROP, (+)-
データベース識別子
- CAS
15165-67-0- PubChem CID
- 119435
- DTXSID
DTXSID0034851- ChEMBL
CHEMBL2252703- ChEBI
CHEBI:75373- UNII
- 0UD1MQP96O
- EC Number
- 403-980-1、604-810-0
- Nikkaji
- J293.375F
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 210
実験および物理化学的性質
Vapor Pressure0.00000046 [mmHg]
Physical DescriptionWhite solid with naphthalene odor; [Reference #1]
物理化学的性質
- 融点
- 124 ° · 124°
- 比旋光度
- 21 D · 21D +26.6° (c = 1.23 in ethanol)
- 沸点
- 348.3 · 348.3±27.0 °C(Predicted)
- 比重(密度)
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- 闪点
- 2 °C · 2 °C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 3.03 · 3.03±0.10(Predicted)
- Merck
- 13 · 13,3104
- BRN
- 5265110 · 5265110
- Henry's Law Constant
- 4 · 4.0×104 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- 主な用途
- 農業環境
- InChI
- InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
- InChIKey
- MZHCENGPTKEIGP-RXMQYKEDSA-N
- SMILES
- C(O)(=O)[C@H](OC1=CC=C(Cl)C=C1Cl)C
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
危険有害性情報
Regulatory Information
Commission Regulation No 844/2012
2,4-DP-p + salt & ester is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2006/74/EC, Reg. (EU) 2019/168, Reg. (EU) 2018/524, Reg. (EU) 2020/421, Reg. (EU) 2021/566, Reg. (EU) 2022/378, Reg. (EU) 2023/689, Reg. (EU) 2025/99, Reg. (EU) No 1166/2013, Reg. (EU) No 540/2011, Reg. (EU) No 878/2014
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9307
Dichlorprop-p: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Risk of serious damage to eyes; A 6-year study of workers handling phenoxy herbicides did not find any adverse effects; Workers had no abnormalities of hemoglobin, liver function tests, or kidney function tests; [European Food Safety Authority (EFSA): Active Substances in Plant Protection Products] See Dichlorprop.
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Aquatic Acute 1 (50%)；Aquatic Chronic 2 (50%)
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)
Skin irritation - category 2；Eye damage - category 1；Skin sensitisation - category 1；Acute toxicity (ingestion) - category 4
化学と産業
薬理情報
Metabolism/Metabolites
CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing CDDs induce both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the feces, though smaller amounts are excreted in the urine and via lactation. (L177)
用途と製造
Uses
Used as a post-emergence herbicide against broadleaf weeds and brush in ornamental lawns, recreational turf, sod farms, roadsides, industrial sites, rights-of-way, and forests; [Reference #1]
Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
Use Classification
Herbicides, Plant growth regulators
Environmental transformation -> Pesticides (parent, predecessor)
応用分野
使用Herbicide.
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
読み込み中…