기본 정보
- 표준 SMILES
COC(=O)COc1nc(Cl)c(Cl)cc1Cl- InChIKey
MNYBZEHWPRTNJY-UHFFFAOYSA-N- 분자식
- C8H6Cl3NO3
- 평균 분자량
- 270.5 g/mol
- 단동위원소 질량
- 268.94132609
이름 및 식별자
- 우선 이름
- Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester
- IUPAC
- methyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
- 현지명
- 비중수소화/유도화합물과구별하기위해CAS에트리클로피르메틸에스테르접미사를추가했습니다.
- 영어명
- Triclopyr methyl estersuffix added to CAS to differentiate from non-deuterated/derivatized compound.
- 분자식
- C8H6Cl3NO3
- 분자량
- 270.5
이름 및 동의어
Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester((3,5,6-Trichloro-2-pyridyl)oxy)acetic acid, methyl esterAcetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, methyl esterAcetic acid, 2-((3,5,6-trichloro-2-pyridinyl)oxy)-, methyl esterAcetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl esterRefChem:55206660825-26-5Triclopyr methyl esterTriclopyr-methylmethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetateMETHYL 2-[(3,5,6-TRICHLOROPYRIDIN-2-YL)OXY]ACETATEMethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
이름 더 보기
비중수소화/유도화합물과구별하기위해CAS에트리클로피르메틸에스테르접미사를추가했습니다.Chlorpyrifos Impurity 56C17800600 Triclopyr-methylTriclopyr Methyl Ester @100 μg/mL in MeOHMethyl [(3,5,6-trichloro-2-pyridinyl)oxy]acetate-biphenyl]-2-yl-,1-(phenylmethyl)-4-piperidinylester[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid methyl esterTriclopyr methyl estersuffix added to CAS to differentiate from non-deuterated/derivatized compound.
SCHEMBL3232675DTXSID8069432SCHEMBL31438450NS00001510methyl 3,5,6-trichloro-2-pyridinyloxyacetateMethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate3,5,6-trichloro-2-pyridoxyacetic acid, methyl esterMethyl [(3,5,6-trichloro-2-pyridinyl)oxy]acetate #
데이터베이스 식별자
- CAS
60825-26-5- PubChem CID
- 94596
- DTXSID
DTXSID8069432- Nikkaji
- J313.196C
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 48.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 229
물리화학적 성질
- 끓는 점
- 313.3 · 313.3±37.0 °C(predicted)
- 밀도
- 1.511 · 1.511±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -3.32 · -3.32±0.10(predicted)
- Henry's Law Constant
- 6 · 6.0×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA
- Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester (60825-26-5)
안전 및 규제
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester: INACTIVE
공급사13 곳
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