기본 정보
- 표준 SMILES
O=P(CCCl)(OCCCl)OCCCl- InChIKey
XXIDKSWYSYEFAG-UHFFFAOYSA-N- 분자식
- C6H12Cl3O3P
- 평균 분자량
- 269.5 g/mol
- 단동위원소 질량
- 267.958964
이름 및 식별자
- 우선 이름
- Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
- IUPAC
- 1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
- 현지명
- BIS(베타-클로로에틸)-베타-클로로에틸포스폰산염
- 영어명
- Bis(beta-chloroethyl)-beta-chloroethyl phosphonate
- 분자식
- C6H12Cl3O3P
- 분자량
- 269.49
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6294-34-4- PubChem CID
- 80518
- DTXSID
DTXSID8027618- UNII
- 4E2R2KWC27
- EC Number
- 228-557-7
- Nikkaji
- J186.571D
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 25 · 25-26 °C
- 끓는 점
- 161 · 161-163 °C(Press: 4 Torr)
- 밀도
- 1.391 · 1.391
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 투명 무색
- 안정성
- 흡습성
- EPA
- Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester (6294-34-4)
안전 및 규제
GHS 분류
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.
유해성 정보
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.
규제 정보
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.
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 orl-rat: 880 mg/kg NTIS** OTS0540437
- 기존화학 물질
- KE-05681
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester: ACTIVE
응용 분야
용도Bis(2-chloroethyl) (2-Chloroethyl)phosphonate is used in the production of 2-Chloroethylphosphonic acid which is used as a plant regulator in agriculture.
상·하류 제품 정보
상류 원료
하류 제품
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