기본 정보
- CAS
111353-84-5- 표준 SMILES
CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1- InChIKey
IRLGCAJYYKDTCG-UHFFFAOYSA-N- 분자식
- C14H16N6O6S
- 평균 분자량
- 396.38 g/mol
- 단동위원소 질량
- 396.08520342
개요
Ethametsulfuron is an N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. It has a role as a herbicide. It is a member of benzoic acids, an aromatic ether, a diamino-1,3,5-triazine and a N-sulfonylurea.
이름 및 식별자
- 우선 이름
- Ethametsulfuron
- IUPAC
- 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
- 영어명
- Ethametsulfuron
- 분자식
- C14H16N6O6S
- 분자량
- 396.38
이름 및 동의어
Ethametsulfuron111353-84-5Ethametsulfuron [ISO]UNII-TYY89AZD3VTYY89AZD3VCHEBI:145551DTXSID908695421-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]urea2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid2-((4-ETHOXY-6-METHYLAMINO-1,3,5-TRIAZIN-2-YL)CARBAMOYLSULFAMOYL)BENZOIC ACID2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoic acid2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid
이름 더 보기
ETHAMETSULFURON-METHYL 97%IRLGCAJYYKDTCG-UHFFFAOYSA-NEthametsulfuron Sodium Salt [cas number of free form2-[(4-ETHOXY-6-METHYLAMINO-1,3,5-TRIAZIN-2-YL)CARBAMOYLSULFAMOYL]BENZOIC ACIDBenzoic acid, 2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-
1-((2-carboxyphenyl)sulfonyl)-3-(4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl)urea2-(((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)benzoic acidRefChem:138012DTXCID208175112-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid2-[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acidSCHEMBL127064SCHEMBL29376940
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 626
물리화학적 성질
- 밀도
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.59 · 2.59±0.36(Predicted)
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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