2-メチル-2-メチルスルホニルプロピオンアルデヒドO-(メチルカルバモイル)オキシム

Aldicarb sulfone

HCID 15438

基本情報

CAS
1646-88-4
標準SMILES
CNC(=O)ON=CC(C)(C)S(C)(=O)=O
InChIKey
YRRKLBAKDXSTNC-UHFFFAOYSA-N
分子式
C7H14N2O4S
平均分子量
222.26 g/mol
単同位体質量
222.06742793

概要

Aldicarb sulfone is a white crystalline solid. Insecticide.

名称と識別子

優先名称
Aldicarb sulfone
IUPAC
[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate
現地名
2-メチル-2-メチルスルホニルプロピオンアルデヒドO-(メチルカルバモイル)オキシム
英語名
Aldicarb-sulfone
分子式
C7H14N2O4S
分子量
222.26

名称と別名

DTXSID6023862RefChem:915377DTXCID308098061646-88-4Aldicarb sulfone[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate2-methyl-2-(methylsulfonyl)propanal O-[(methylamino)carbonyl]oximeSCHEMBL3500526(1E)-2-Methyl-1-(([(methylamino)carbonyl]oxy)imino)-2-(methylsulfonyl)propane #Carbamic acid, methyl-, O-[[2-methyl-2-(methylsulfonyl)propylidene]amino] deriv.Aldicarb-sulfone 1000 microg/mL in AcetoneAldicarb-sulfone 100 microg/mL in Acetonitrile
名称をさらに表示
2-メチル-2-(メチルスルホニル)プロピオンアルデヒドO-(メチルカルバモイル)オキシム2-メチル-2-メチルスルホニルプロピオンアルデヒドO-(メチルカルバモイル)オキシムスタンダックアルドキシカルブアルジカルブスルホンアルジカルブスルホン標準品CS_N-11045-10MG_アルディカルブスルホン アルジカルブスルホンアルドキシカルブアルディカルブスルホンアルドキシカルブアルジカルブスルホン STANDARDアルディカルブスルホンアルジカルブスルホン Standard, 100 µg/mL in MeOHアルジカルブスルホン Standard, 1000 µg/mL in AcCNアルジカルブスルホン, 0.1 mg/mL in AcCNアルジカルブスルホン, 100 µg/mL in MeOH(2-メタンスルホニル-2-メチルプロピリデン)アミノ N-メチルカルバマートALDOXYCARBALDICARB-SULFONE PESTANALUCESent4.9StandakSTANDOKUC21865SulfocarbSTANDAK(R)aldoxycarbe
[(2-methyl-2-methylsulfonyl-propylidene)amino] N-methylcarbamate2-methyl-2-(methylsulfonyl) propionaldehyde O-(methylcarbamoyl) oxime7,7-Dimethyl-8,8-dioxo-4-oxa-8lambda~6~-thia-2,5-diazanon-5-en-3-one

データベース識別子

CAS
1646-88-4
PubChem CID
15438
DTXSID
DTXSID6023862
EC Number
216-710-0

物性

構造計算による物性

XLogP
-0.6
極性表面積
93.2 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
4
重原子数
14

実験および物理化学的性質

Pesticides · 4 件

Pesticide -> EPA IRIS

Pesticides -> Carbamate Insecticides

Pesticide (Aldicarb sulfone) -> USDA PDB

Pesticide degradation product

LogP-0.57
Vapor Pressure0.00009 [mmHg]
Physical Description · 2 件

Aldicarb sulfone is a white crystalline solid. Insecticide.

White solid; [CAMEO]

Collision Cross Section149.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6023862]

物理化学的性質

融点
132 · 132-135 °C
比重(密度)
1.3816 · 1.3816 (rough estimate)
蒸気圧
1.2 · 1.2×10-2 Pa (25 °C)
屈折率
1.569 · 1.5690 (estimate)
貯蔵温度
0 · 0-6°C
溶解性
DMSO(微量)、メタノール(微量)
化学的性質 · 1 件

化学的特性Aldoxycarb is a carbamate pesticide used mainly as an insecticide and acaricide. It is a white crystalline powder with a slightly sulfurous odor. Aldoxycarb is extremely toxic to wildlife. Aldoxycarb (Aldicarb sulfone) is a breakdown product of aldicarb. Aldoxycarb is a degradate/metabolite of aldicarb produced by the oxidation of the thio-moiety.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Hazards Summary · 1 件

Causes weight loss in acute oral studies of rats; Causes other degenerative changes to brain and effects on true cholinesterase in 13-week constant oral studies of rats; [RTECS] A metabolite of aldicarb with less potent cholinesterase inhibiting potential; [Reference #1] May cause irritation; A lachrymator and cholinesterase inhibitor; Highly toxic by ingestion, inhalation, and skin absorption; Targets the cardiovascular system, CNS, blood, heart, and eyes; [Sigma-Aldrich MSDS] See Aldicarb. See CARBAMATE INSECTICIDES.

Reactive GroupCarbamates

安全と保護具

Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
First AidExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Exposure Control and Personal Protection · 1 件

Biological Exposure Indices (BEI) [ACGIH] - Acetylcholinesterase activity in red blood cells = 70% of individual's baseline; Butylcholinesterase activity in serum or plasma = 60% of individual's baseline; Sample at end of shift; [TLVs and BEIs]

Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

毒性情報

Treatment · 1 件

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.

Target OrgansNervous
Health Effects · 1 件

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).

Adverse EffectsOther Poison - Carbamate
Exposure RoutesInhalation (L793) ; oral (L793); dermal (L793)
Toxicity Summary · 1 件

Aldoxycarb is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop.

安全データ

wgk
3
rtecs
UE2080000
ridadr
2757
毒性
duck,LD50,oral,33500ug/kg (33.5mg/kg),Pesticide Manual. Vol. 9, Pg. 18, 1991.
risk_code
24-26/28
hazard_code
T+

化学と産業

薬理情報

Metabolism/MetabolitesThe carbamates are hydrolyzed enzymatically by the liver; degradation products are excreted by the kidneys and the liver. (L793)

用途と製造

Uses · 2 件

A metabolite of aldicarb; [ChemIDplus] No active pesticide product registrations in the US; [NPIRS]

Aldoxycarb is widely used as an insecticide or pesticide in homes, gardens and agricultural applications. It is a synthetic compound.

応用分野 · 3 件

説明Aldoxycarb, is also called 2-mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime (IUPAC), the sulfone analog of aldicarb, is also a systemic insecticide effective for control of insects (mainly sucking insect pests such as aphids, leafhoppers, etc.).

使用Aldicarb Sulfone is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.

一般的な説明White crystalline solid. Insecticide.

サプライヤー62 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

関連反応

4 件

化合物ノート

読み込み中…