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N,N-ビス(1-メチルプロピル)チオカルバミド酸S-ベンジル

Tiocarbazil

HCID 37523
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
36756-79-3
標準SMILES
CCC(C)N(C(=O)SCc1ccccc1)C(C)CC
InChIKey
PHSUVQBHRAWOQD-UHFFFAOYSA-N
分子式
C16H25NOS
平均分子量
279.4 g/mol
単同位体質量
279.16568559

概要

Tiocarbazil is a member of benzenes.

名称と識別子

優先名称
Tiocarbazil
IUPAC
S-benzyl N,N-di(butan-2-yl)carbamothioate
現地名
N,N-ビス(1-メチルプロピル)チオカルバミド酸S-ベンジル
英語名
TIOCARBAZIL
分子式
C16H25NOS
分子量
279.44

名称と別名

Tiocarbazil36756-79-3DREPAMONS-Benzyl di-sec-butylthiocarbamateM-3432S-Benzyl di-sec-Butylthiocarbamate (Tiocarbazil)Carbamic acid, di-sec-butylthio-, S-benzyl esterUO440RHO7TTiocarbenilCaswell No. 082AATiocarbazil [BSI:ISO]EINECS 253-190-4
名称をさらに表示
チオカルバジルドレパモンチオカルベニルN,N-ビス(1-メチルプロピル)チオカルバミド酸S-ベンジルチオカルバジル標準品N,N-ビス(ブタン-2-イル)(ベンジルスルファニル)ホルムアミドtiocarbazil (bsi,iso)C17585000 TiocarbazilTiocarbazil in AcetonitrileTiocarbazil 10.0 μg/ml AcetonitrileProsulfocarb Impurity 8(Tiocarbazil)
UNII-UO440RHO7TEPA Pesticide Chemical Code 110701N,N-Di-sec-butyl-S-benzylthiocarbamateBRN 1972813S-Benzyl N,N-di-sec-butyl thiocarbamateS-Benzyl-N,N-di-sec-butyl thiocarbamateS-Phenylmethyl-N,N-bis(1-methylpropyl)carbamothioateS-Benzyl-N,N-di-sec-butylthiocarbamate

データベース識別子

CAS

物性

構造計算による物性

XLogP
4.4
極性表面積
45.6 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
7
重原子数
19
形式電荷
0
複雑度
253

実験および物理化学的性質

Pesticides · 2 件

Herbicides

Active substance -> EU Pesticides database: Not approved

LogP4.4

物理化学的性質

融点
25 °C · 25°C
沸点
131 °C · 131 °C
比重(密度)
1.0443 · 1.0443 (rough estimate)
屈折率
1.7 · 1.7000 (estimate)
酸解離定数(Pka)
-1.22 · -1.22±0.70(Predicted)
水溶解度
2.5 mg/L · 2.5mg/L(30℃)
EPAの化学物質情報
Tiocarbazil (36756-79-3)

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 · 4 件

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information2002/2076
Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Treatment · 1 件

Treatment of carbamate poisoning is similar to that of organophosphate poisoning in that atropine sulfate injections readily reverse the effects. For acute exposures and first aid: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 件

Data concerning the effects of thiocarbamates on man are scarce. However, cases of irritation and sensitization have been observed among agricultural workers. Some thiocarbamates, e.g., molinate, have an effect on sperm morphology and, consequently, on reproduction. However, no teratogenic effects have been observed. The results of mutagenicity studies have shown that thiocarbamates containing dichloroallyl groups are highly mutagenic. Some thiocarbamates are acetylcholine esterase inhibitors. 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.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

As a general rule, thiocarbamates can be absorbed via the skin, mucous membranes, and the respiratory and gastrointestinal tracts. They are eliminated quite rapidly, mainly via expired air and urine. Two major pathways exist for the metabolism of thiocarbamates in mammals. One is via sulfoxidation and conjugation with glutathione. The conjugation product is then cleaved to a cysteine derivative, which is metabolized to a mercapturic acid compound. The second route is oxidation of the sulfur to a sulfoxide, which is then oxidized to a sulfone, or hydroxylation to compounds that enter the carbon metabolic pool.

用途と製造

UsesThiocarbamates are widely used throughout the world and are produced in great quantities, mainly as herbicides and fungicides.

応用分野

使用Agricultural chemical.

サプライヤー11 社

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]

関連反応

0 件
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現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
36756-79-3
PubChem CID
37523
DTXSID
DTXSID6034425
ChEBI
CHEBI:82045
UNII
UO440RHO7T
EC Number
253-190-4
Nikkaji
J20.153G
Exposure RoutesInhalation (L793) ; oral (L793); dermal (L793)
Toxicity Summary · 1 件

Some thiocarbamates (EPTC, Molinate, Pebulate, and Cycloate) share a common mechanism of toxicity, i.e. the inhibition of acetylcholinesterase. An acetylcholinesterase 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.

Signs and Symptoms · 1 件

As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

hs_code
29302000
华阴市赛普生物科技有限公司13892502238 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]