基本情報
- CAS
74115-24-5- 標準SMILES
Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1- InChIKey
UXADOQPNKNTIHB-UHFFFAOYSA-N- 分子式
- C14H8Cl2N4
- 平均分子量
- 303.1 g/mol
- 単同位体質量
- 302.0126017
概要
Clofentezine is a tetrazine that is 1,2,4,5-tetrazine in which both of the hydrogens have been replaced by o-chlorophenyl groups. It has a role as a mite growth regulator and a tetrazine acaricide. It is an organochlorine acaricide, a tetrazine and a member of monochlorobenzenes. It derives from a hydride of a 1,2,4,5-tetrazine.
名称と識別子
- 優先名称
- Clofentezine
- IUPAC
- 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine
- 現地名
- ３，６－ビス（２－クロロフェニル）－１，２，４，５－テトラジン
- 英語名
- Clofentezine
- 分子式
- C14H8Cl2N4
- 分子量
- 303.15
名称と別名
Clofentezine74115-24-53,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazineBisclofentazinBisclofentazinebisclofentezin3,6-Bis(o-chlorophenyl)-1,2,4,5-tetrazineDTXSID9023881JS4U0R0033NC-21314DTXCID703881CHEBI:39315
名称をさらに表示
３，６－ビス（２－クロロフェニル）－１，２，４，５－テトラジンクロフェンテジン標準品クロフェンテジン３，６ビス（２クロロフェニル）１，２，４，５テトラジン3,6-ビス（2-クロロフェニル）-1,2,4,5-テトラジン （クロフェンチジン）3,6-ビス(2-クロロフェニル)-1,2,4,5-テトラジン (別名 クロフェンチジン)クロゾリネート3,6‐ビス(2‐クロロフェニル)‐1,2,4,5‐テトラジンCS_N-11490-100MG_クロフェンテジンクロフェンテジン STANDARDクロフェンテジン Standard, 100 µg/mL in MeOHアポロビス(2-クロロフェニル)-1,2,4,5-テトラジンビスクロフェンテジンカーラクロフェンタジンｸﾛ ﾌｪﾝﾁｼﾞﾝAPOLLOCLOFENTEZINapoloNC 144Panatacnc21314Acaritop
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 51.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 280
実験および物理化学的性質
Chemical ClassesCarcinogens
Pesticides
Pesticide -> EPA IRIS
Acaricides
Active substance -> EU Pesticides database: Not approved
Acaricides
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Clofentezine) -> USDA PDB
LogP3.1
Endocrine DisruptorsPotential endocrine disrupting compound
Ionization Efficiency
Positive
2.07
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section161.9 Ų [M+H]+ [CCS Type: TW]
物理化学的性質
- 融点
- 182 · 182-185 °C(lit.)
- 沸点
- 457.37 °C · 457.37°C (rough estimate)
- 比重(密度)
- 1.3727 · 1.3727 (rough estimate)
- 屈折率
- 1.63 · 1.6300 (estimate)
- 貯蔵温度
- 0 · 0-6°C
- 溶解性
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
Warning
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H312 (35.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P273, P280, P302+P352, P317, P321, P362+P364, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Commission Regulation No 844/2012
Clofentezine is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2010/39/EU, Reg (EU) 2018/1796, Reg (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2456, Reg. (EU) No 540/2011
Clofentezine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The 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.)
Other Safety InformationIMAP assessments - 1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-: Human health tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (35.8%)
Serious eye damage/eye irritation - Category 2B
Specific target organ toxicity - Repeated exposure - Category 2 (liver, blood system)
Hazardous to the aquatic environment (Long-term) - Category 1
Carcinogens
Aquatic Chronic 1
毒性情報
Target Organs
化学と産業
用途と製造
UsesThis is a man-made compound that is used as a pesticide.
Use Classification
Acaricides
Environmental transformation -> Pesticides (parent, predecessor)
応用分野
用途殺ダニ剤、農薬(殺虫剤)
使用Clofentezine is a mite growth regular and an tetrazine based acaricide. Clofentezine is used in agriculture for the protection of ornamentals, food and non-food crops in the field.
上流・下流製品情報
上流原料
サプライヤー99 社
関連反応
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化合物ノート
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