基本情報
- CAS
6294-34-4- 標準SMILES
O=P(CCCl)(OCCCl)OCCCl- InChIKey
XXIDKSWYSYEFAG-UHFFFAOYSA-N- 分子式
- C6H12Cl3O3P
- 平均分子量
- 269.5 g/mol
- 単同位体質量
- 267.958964
名称と識別子
- 優先名称
- Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
- IUPAC
- 1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
- 現地名
- 2-クロロエチルホスホン酸ビス(2-クロロエチル)
- 英語名
- Bis(beta-chloroethyl)-beta-chloroethyl phosphonate
- 分子式
- C6H12Cl3O3P
- 分子量
- 269.49
名称と別名
名称をさらに表示
データベース識別子
- CAS
6294-34-4- PubChem CID
- 80518
- DTXSID
DTXSID8027618- UNII
- 4E2R2KWC27
- EC Number
- 228-557-7
- Nikkaji
- J186.571D
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
物理化学的性質
- 融点
- 25 · 25-26 °C
- 沸点
- 161 · 161-163 °C(Press: 4 Torr)
- 比重(密度)
- 1.391 · 1.391
- 貯蔵温度
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 溶解性
- アセトニトリル(微量)、クロロホルム(微量)
- 外見
- 油
- 色
- 無色透明
- 安定性
- 吸湿性
- EPAの化学物質情報
- Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester (6294-34-4)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H361 (75.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H373 (75.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (75.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 3 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
Regulatory Information
Chemical: Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester
Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester: 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.
法規制情報
Regulatory Information
Chemical: Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester
Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester: 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.
安全データ
- tsca
- TSCA listed
- 毒性
- LD50 orl-rat: 880 mg/kg NTIS** OTS0540437
化学と産業
用途と製造
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester: ACTIVE
応用分野
使用Bis(2-chloroethyl) (2-Chloroethyl)phosphonate is used in the production of 2-Chloroethylphosphonic acid which is used as a plant regulator in agriculture.
上流・下流製品情報
上流原料
下流製品
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