基本情報
- 標準SMILES
CCOP(=S)(OCC)ON=C(C#N)c1ccccc1- InChIKey
ATROHALUCMTWTB-UHFFFAOYSA-N- 分子式
- C12H15N2O3PS
- 平均分子量
- 298.3 g/mol
- 単同位体質量
- 298.05410052
名称と識別子
- 優先名称
- Phoxim
- IUPAC
- N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
- 現地名
- ホキシム
- 英語名
- Phoxim
- 分子式
- C12H15N2O3PS
- 分子量
- 298.3
名称と別名
名称をさらに表示
データベース識別子
- CAS
14816-18-3- PubChem CID
- 26927
- DTXSID
DTXSID8034324- ChEMBL
CHEMBL1906626- UNII
- 6F5V775VPO
- EC Number
- 238-887-3
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 95.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 389
実験および物理化学的性質
物理化学的性質
- 融点
- 5.55 °C · 5.55°C
- 沸点
- 0.01 · bp0.01 102°
- 比重(密度)
- 420 · d420 1.176
- 蒸気圧
- 2.1 · 2.1×10-3 Pa (20 °C)
- 屈折率
- 20 · nD20 1.5405
- 貯蔵温度
- 0 · 0-6°C
- 溶解性
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- 水溶解度
- 1.5 mg · 1.5 mg l-1 (20 °C)
- 外見
- 液体
- 色
- Colorless to light yellow
- Henry's Law Constant
- 5 · 5.0×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- 安定性
- Hygroscopic, Moisture Sensitive
- InChIKey
- ATROHALUCMTWTB-WYMLVPIESA-N
- CAS データベース
- 14816 · 14816-18-3(CAS DataBase Reference)
- NISTの化学物質情報
- Phoxim(14816-18-3)
- EPAの化学物質情報
- Phoxim (14816-18-3)
化学的性質
化学的特性yellowish oily liquid, Specific gravity: 1.176 (20°C)
安全と法規制
GHS分類
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral];H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H361f ***: Suspected of damaging fertility [Warning Reproductive toxicity];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
危険有害性情報
Other Safety Information
IMAP assessments - 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide: Human health tier I assessment;IMAP assessments - 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 3 (33.6%);Acute Tox. 4 (66.4%);Acute Tox. 3 (67.3%);Skin Sens. 1 (97.3%);Acute Tox. 2 (34.5%);Repr. 2 (96.5%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)
Reproductive toxicity - category 2;Acute toxicity - category 4;Skin sensitisation - category 1;Hazardous to the aquatic environment (acute) - category 1;Hazardous to the aquatic environment (chronic) - category 1
Repr. 2;Acute Tox. 4 *;Skin Sens. 1;Aquatic Acute 1;Aquatic Chronic 1
毒性情報
安全データ
- wgk
- 3
- rtecs
- MD4740000
- ridadr
- UN 2810
- 毒性
- LD50 orally in mice: >2000 mg/kg (Vinopal, Fukuto)
- hs_code
- 29269090
- risk_code
- 22-50/53-62-43
- 安衛法
- 57,57-2
- 消防法
- 危険物第4類第三石油類(非水溶性)
- hazard_code
- Xn;N,N,Xn
- safety_code
- 36-60-61-46-36/37
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
用途と製造
Use Classification
Veterinary Drug -> INSECTICIDE -> JECFA Functional Classes
Veterinary Drug -> INSECTICIDE -> JECFA Functional Classes
Veterinary Drug -> INSECTICIDE -> JECFA Functional Classes
INSECTICIDES
応用分野
説明Phoxim is a light yellow liquid, Solubility in water is 1.5 mg/L (20 C). It is readily soluble in most organic solvents and slightly in aliphatic hydrocarbons. Log Kow = 3.38. It is relatively slowly hydrolyzed in aqueous media; DT50 (22 C) at pH 4, 7, and 9 is 26.7, 7.2, and 3.1 d, respectively.
使用Phoxim is used to control stored product insect pests in silos and barns. It is also used to control household insects such as ants and other public health pests. Agricultural targets include caterpillars and soil insects in maize, vegetables, cotton and potatoes.
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