チオシクラム·しゅう酸

Thiocyclam hydrogen oxalate

HCID 35969CAS 31895-22-4

基本情報

標準SMILES: CN(C)C1CSSSC1.O=C(O)C(=O)O
InChIKey: ICTQUFQQEYSGGJ-UHFFFAOYSA-N
分子式: C7H13NO4S3
平均分子量: 271.4 g/mol
単同位体質量: 271.0006709

概要

Thiocyclam oxalate is an oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union. It has a role as an insecticide, an agrochemical and a nicotinic acetylcholine receptor agonist. It contains a thiocyclam(1+) and an oxalate(1-).

名称と識別子

優先名称: Thiocyclam hydrogen oxalate
IUPAC: N,N-dimethyltrithian-5-amine;oxalic acid
現地名: チオシクラム·しゅう酸
英語名: Thiocyclam hydrogen oxalate
分子式: C7H13NO4S3
分子量: 271.36

名称と別名

Thiocyclam hydrogen oxalateThiocyclam oxalate31895-22-4EvisektDTXSID0047036G3LOM1T4X95-Dimethylamino-1,2,3-trithiane hydrogen oxalateN,N-Dimethyl-1,2,3-trithian-5-amine hydrogenoxalateN,N-Dimethyl-1,2,3-trithian-5-ylammonium hydrogen oxalateDTXCID8027036CHEBI:133553N,N-dimethyl-1,2,3-trithian-5-amine ethanedioate (1:1)

名称をさらに表示

しゅう酸チオシクラムN,N-ジメチル-1,2,3-トリチアン-5-アミン·エタン二酸エビセクトチオシクラム·しゅう酸しゅう酸水素チオシクラム標準品チオシクラムしゅう酸塩チオシクラムしゅう酸塩標準品チオシクラムしゅう酸塩 (100ΜG/ML メタノール溶液)チオシクラムシュウ酸水素塩san155san1551san155iNERISECTSulfoxaneFICOLL(R)hiocyclamoxalate

N,N-dimethyl-1,2,3-trithian-5-ylamine oxalate (1:1)RefChem:1099999250-859-2EvisectEvisect SThiocyclam hydrogenoxalateN,N-dimethyltrithian-5-amine;oxalic acidThiocyclam oxalate [ISO]

データベース識別子

CAS: 31895-22-4
PubChem CID: 35969
DTXSID: DTXSID0047036
ChEMBL: CHEMBL2270412
ChEBI: CHEBI:133553
UNII: G3LOM1T4X9
EC Number: 250-859-2

物性

構造計算による物性

極性表面積: 154 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 152

物理化学的性質

蒸気圧: 5.45 x · 5.45 x 10-4 Pa (20 °C)
闪点: 130 °C · 130 °C
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 3.95 · 3.95 (acid), 7.0 (base)
水溶解度: 16.3 g · 16.3 g l-1 (20 °C、pH 6.8)
BRN: 4771240 · 4771240
主な用途: 農業環境
InChI: 1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKey: ICTQUFQQEYSGGJ-UHFFFAOYSA-N
SMILES: OC(=O)C(O)=O.CN(C)C1CSSSC1
CAS データベース: 31895 · 31895-22-4(CAS DataBase Reference)
EPAの化学物質情報: Thiocyclam hydrogen oxalate (31895-22-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302+H312 (40%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Hazard Classes and Categories · 3 件

Acute Tox. 4 (97.1%)

Acute toxicity - category 4

Acute Tox. 4 *

安全データ

wgk: 3
rtecs: YL8300000
ridadr: 2588
risk_code: 21/22-50/53
hazard_code: Xn,N
safety_code: 36/37-46-60-61
hazard_class: 6.1(b)
packing_group: III
毒劇物取締法: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用Thiocyclam is used to protect against Lepidoptera, Coleoptera, some Diptera and Thysanoptera. It is used to control Colorado beetle in potatoes, Lepidoptera and Coleoptera pest complexes in rape, stem borers in irrigated rice, corn borers and Tanymecus in maize, weevils and other Coleoptera in sugar beet, stem borers in sugar cane, Lepidoptera in fruit trees and leaf miners in vegetables.

上流・下流製品情報

上流原料

N,N-ジメチルアセトアミド塩化アリル

下流製品

5-ジメチルアミノ-1,2,3-トリチアン

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

補足説明 · 1 件

定義ChEBI: An oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union.