基本情報
- CAS
39202-40-9- 標準SMILES
CC(=O)O.CC(=O)O.CC(=O)O.NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N- InChIKey
FKWDSATZSMJRLC-UHFFFAOYSA-N- 分子式
- C24H53N7O6
- 平均分子量
- 535.7 g/mol
- 単同位体質量
- 535.40573244
名称と識別子
- 優先名称
- Iminoctadine Triacetate
- IUPAC
- acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine
- 現地名
- N,N'''-[イミノビス(8,1-オクタンジイル)]ビスグアニジン/酢酸,(1:x)
- 英語名
- IMINOCTADINE TRIACETATE
- 分子式
- C24H53N7O6
- 分子量
- 535.72
名称と別名
名称をさらに表示
データベース識別子
- CAS
39202-40-9、57520-17-9- PubChem CID
- 162366
- ChEBI
CHEBI:81837- UNII
- 1FTU5HTW7L
- EC Number
- 254-351-1、691-747-7
物性
構造計算による物性
- 極性表面積
- 253 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 9
- 回転可能結合数
- 18
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 333
物理化学的性質
- 蒸気圧
- -3 Pa · -3 Pa (23 °C)
- 貯蔵温度
- 0 · 0-6°C
- 酸解離定数(Pka)
- 9 · >9, >13, >13 (strong base)
- 水溶解度
- 764 · 764,000 mg l-1 (25 °C)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and Categories
Acute Tox. 3 (100%);Acute Tox. 4 (100%);Aquatic Chronic 2 (97.4%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
Acute toxicity (Oral) - Category 3;Acute toxicity (Dermal) - Category 4;Acute toxicity (Inhalation: Dusts and mists) - Category 1;Carcinogenicity - Category 2;Reproductive toxicity - Category 1B;Specific target organ toxicity - Single exposure - Category 1 (respiratory organs), Category 3 (narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (kidney, reproductive organs (male), liver)
安全データ
- ridadr
- 2588
- hazard_class
- 6.1(a)
- packing_group
- I
化学と産業
応用分野
使用Iminoctadine triacetate is used as a seed treatment or spray for control of Septoriu nodorum, Tilletia caries, Fusarium spp. and Helminthosporium spp. in cereals. It is also used on citrus fruit and apples.
上流・下流製品情報
上流原料
サプライヤー5 社
関連反応
化合物ノート
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