メチルカルバミド酸2-(1,3-ジオキソラン-2-イル)フェニル

フェニクロン · エロクロン8353 · メチルカルバミド酸2-(1,3-ジオキソラン-2-イル)フェニル · デュポン殺虫剤1519 · N-メチルカルバミド酸2-(1,3-ジオキソラン-2-イル)フェニル · エロクロン50WP · ロブリンカ · ファミド

https://huagongshe.com/ja/chemical/23421

識別子と物理属性

CAS No.	6988-21-2
分子式	C11H13NO4
平均分子量	223.22 g/mol
単同位体質量	223.0844579 g/mol
SMILES	CNC(=O)Oc1ccccc1C1OCCO1
InChIKey	SDKQRNRRDYRQKY-UHFFFAOYSA-N
PubChem CID	23421
ChEMBL	CHEMBL3188645
ChEBI	CHEBI:82093
EC No.	230-253-4
DTXSID	DTXSID2041886
現地名	メチルカルバミド酸2-(1,3-ジオキソラン-2-イル)フェニル

化学・物理的性質

XLogP	0.5
極性表面積	56.8
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	3
重原子数	16
形式電荷	0
複雑度	240
SpringerMaterials Properties	Fusion temperature
農薬	InsecticidesActive substance -> EU Pesticides database: Not approvedPesticide (Dioxacarb) -> USDA PDB
LogP（分配係数）	0.67
Collision Cross Section	151.9 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2041886]
融点	114.5℃
沸点	364.51°C (rough estimate)
密度	1.2446 (rough estimate)
屈折率	1.4960 (estimate)
貯蔵条件	0-6°C
溶解度	Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)6g/L(20℃)
外観・状態	Solid
pKa（酸解離定数）	12.17±0.46(Predicted)
色	White to Off-White
ヘンリー定数	6.7×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
EPAの化学物質情報	Dioxacarb (6988-21-2)

安全性と法規制

GHS 分類	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
規制情報	2002/2076
DOT Hazard Classification	DioxacarbMarine pollutant
Hazard Classes and Categories	Acute Tox. 3 (97.6%)Acute toxicity - category 3Acute toxicity (Oral) - Category 2Acute Tox. 3 *
Treatment	If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.
健康影響	Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321).

用途

使用

Dioxacarb is used as pesticide.