기본 정보
- CAS
7286-69-3- 표준 SMILES
CCNc1nc(Cl)nc(NC(C)CC)n1- InChIKey
BZRUVKZGXNSXMB-UHFFFAOYSA-N- 분자식
- C9H16ClN5
- 평균 분자량
- 229.71 g/mol
- 단동위원소 질량
- 229.1094232
개요
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.
이름 및 식별자
- 우선 이름
- Sebuthylazine
- IUPAC
- 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
- 영어명
- SEBUTHYLAZINE
- 분자식
- C9H16ClN5
- 분자량
- 229.71
이름 및 동의어
Sebuthylazine7286-69-3Sebuthylazine [ISO]Caswell No. 125AGS 13528GP8E41EOQOEINECS 230-710-8EPA Pesticide Chemical Code 225200SEC-BUTYLAZINEs-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)-1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylpropyl)-GS-13528
이름 더 보기
SEBUTHYLAZINgs13528Benodanil Impurity 12Sebuthylazin solutionSEBUTHYLAZINE STANDARDsebuthylazine (bsi,iso)C16920000 SebuthylazineSebuthylazin, CAS 7286-69-3Sebuthylazin @100 μg/mL in MeOH
2-(sec-Butylamino)-4-chloro-6-(ethylamino)-s-triazine2-Aethylamino-4-sek.butylamino-6-chlor-1,3,5-triazinDTXSID70581712-Aethylamino-4-sek.butylamino-6-chlor-1,3,5-triazin [German]1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylpropyl)-ETHYLAMINO-SEC-BUTYLAMINOCHLORO-S-TRIAZINE6-(SEC-BUTYLAMINO)-2-CHLORO-4-(ETHYLAMINO)-S-TRIAZINE(RS)-N2-SEC-BUTYL-6-CHLORO-N4-ETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 62.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 180
실험 및 물리화학적 성질
PesticidesPesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
LogP3.02
Ionization Efficiency
Positive
3.7
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
물리화학적 성질
- 끓는 점
- 368.7 °C · 368.7°C (rough estimate)
- 밀도
- 1.2062 · 1.2062 (rough estimate)
- 굴절률
- 1.611 · 1.6110 (estimate)
- 인화점
- 2 °C · 2 °C
- 저장 조건
- 4 °C · APPROX 4°C
- 산도 계수 (pKa)
- 2.5 · 2.50±0.10(Predicted)
- BRN
- 650331 · 650331
- Henry's Law Constant
- 8.4 · 8.4×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- EPA
- Sebuthylazine (7286-69-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XY4520000
- ridadr
- UN 1648 3/PG 2
- risk_code
- 11-20/21/22-36
- hazard_code
- F,Xn
- safety_code
- 16-26-36
화학 및 산업
용도 및 제조
Use ClassificationPesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylpropyl)-: INACTIVE
공급사21 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
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