기본 정보
- CAS
142469-14-5- 표준 SMILES
COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1- InChIKey
KVEQCVKVIFQSGC-UHFFFAOYSA-N- 분자식
- C13H9F6N5O4S
- 평균 분자량
- 445.3 g/mol
- 단동위원소 질량
- 445.02794393
개요
Tritosulfuron is a sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a methoxy-1,3,5-triazine, a N-sulfonylurea and a member of (trifluoromethyl)benzenes.
이름 및 식별자
- 우선 이름
- Tritosulfuron
- IUPAC
- 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
- 영어명
- Tritosulfuron
- 분자식
- C13H9F6N5O4S
- 분자량
- 445.3
이름 및 동의어
Tritosulfuron142469-14-5U9927AJG71DTXSID9057975CHEBI:835001-(4-METHOXY-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZIN-2-YL)-3-(2-(TRIFLUOROMETHYL)BENZENESULFONYL)UREA1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]ureaRefChem:192206DTXCID7031743N-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)carbamoyl)-2-(trifluoromethyl)benzenesulfonamideTritosulfuron [ISO]UNII-U9927AJG71
이름 더 보기
TRITOSULFURON PESTANALPendimethalin Impurity 15CHROMOTROPE 2 R FOR MICROSCOPYTritosulfuron 10.0 μg/ml AcetonitrileLC PestiMix 5 5 μg/mL in AcetonitrileLC PestiMix 8 10 μg/mL in Acetonitrile:AcetoneGB 23200.121-2021 Pesticide Mixture 2 50 μg/mL in AcetonitrileN-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)-carbamoyl)-2-(trifluoromethyl)benzenesul
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylureaBIATHLONTRITOSULFURON PESTANALC13H9F6N5O4SBAS-635N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamideTOOLERTRITOSULFURON [MI]
데이터베이스 식별자
- CAS
142469-14-5- PubChem CID
- 11657899
- DTXSID
DTXSID9057975- ChEBI
CHEBI:83500- UNII
- U9927AJG71
- EC Number
- 604-291-0
- Nikkaji
- J1.276.628I
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 683
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 밀도
- 1.639 · 1.639±0.06 g/cm3(Predicted)
- 인화점
- 204 °C · >204 °C
- 용해도
- Solubility in organic solvents (g/l at 20 °C) Acetone - Acetonitrile - Ethyl acetate 83.0 Dichloromethane 25.0 n‐Heptane <0.001 Methanol 23 Toluene 4.2
- 산도 계수 (pKa)
- Dissociation constant (pKa at 20 °C) 4.69
- 수용성
- Solubility in water (g/l at 20 °C) <0.001 (pH 1.7) 0.04 (pH 7.0) 78.32 (pH 10.2)
- Henry's Law Constant
- 1 · 1.0×104 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- LogP
- 4.48 · 4.480 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Regulation (EC) No 178/2002 (amended)
08/70/EC, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) 2024/2777, Reg. (EU) No 540/2011, Reg.(EU) 2024/2777
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
안전 데이터
- wgk
- 2
- ridadr
- UN3077 9/PG 3
- risk_code
- 43-51/53
- hazard_code
- Xi,N
- safety_code
- 36/37-61
화학 및 산업
용도 및 제조
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Tritosulfuron is a sulfonylurea herbicide found in in ground, surface and wastewater.
추가 설명
정의ChEBI: A sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom.
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