기본 정보
- CAS
7071-12-7- 표준 SMILES
CCOC(=O)C(Cl)P(=O)(OCC)OCC- InChIKey
PCDXCIMROXIFBI-UHFFFAOYSA-N- 분자식
- C8H16ClO5P
- 평균 분자량
- 258.63 g/mol
- 단동위원소 질량
- 258.0423883
이름 및 식별자
- 우선 이름
- Triethyl 2-chloro-2-phosphonoacetate
- IUPAC
- ethyl 2-chloro-2-diethoxyphosphorylacetate
- 현지명
- 트리에틸2-클로로-2-포스포노아세테이트
- 영어명
- Triethyl 2-chloro-2-phosphonoacetate
- 분자식
- C8H16ClO5P
- 분자량
- 258.64
이름 및 동의어
Triethyl 2-chloro-2-phosphonoacetate7071-12-7DTXSID20394079RefChem:386113DTXCID80344939626-541-8Ethyl 2-chloro-2-(diethoxyphosphoryl)acetateMFCD00192516ethyl 2-chloro-2-diethoxyphosphorylacetateC8H16ClO5PEthyl 2-chloro-2-diethoxyphosphoryl-acetateAcetic acid, chloro(diethoxyphosphinyl)-, ethyl ester
이름 더 보기
트리에틸2-클로로-2-포스포노아세테이트TRIETHYL CHLOROPHOSPHONOACETATETriethyl 2-chlorophosphonoacetateETHYL CHLORO(DIETHYLPHOSPHONO)ACETATETriethyl 2-chloro-2-phosphonoacetate 97%TRIETHYL 2-CHLORO-2-PHOSPHONOACETATE, 97 %ACETIC ACID, CHLOROPHOSPHONO-, TRIETHYL ESTER2-CHLORO-2-PHOSPHONOACETIC ACID TRIETHYL ESTER
SCHEMBL1651880PCDXCIMROXIFBI-UHFFFAOYSA-NTriethyl 2-Chloro-2-phosphoacetateAKOS015904524Ethyl chloro(diethoxyphosphoryl)acetateSY032416Triethyl 2-chloro-2-phosphonoacetate, 97%CS-0204364
데이터베이스 식별자
- CAS
7071-12-7- PubChem CID
- 3604459
- DTXSID
DTXSID20394079- EC Number
- 626-541-8
- Nikkaji
- J3.076.723C
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 235
물리화학적 성질
- 끓는 점
- 93 · 93-95 °C0.01 mm Hg(lit.)
- 밀도
- 1.21 g/mL · 1.21 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.446(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Store at R.T.
- 물리적 상태
- liquid
- InChI
- 1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
- InChIKey
- PCDXCIMROXIFBI-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(Cl)P(=O)(OCC)OCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Triethyl 2-chloro-2-phosphonoacetate is a reagent that is used in the synthesis of isotope labelled Mutagen X (MX), which is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system.
공급사25 곳
上海策嵘生物科技有限公司[email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…