1-HYDROXY-6-(트리플루오로메틸)벤조트리아졸

1-Hydroxy-6-(trifluoromethyl)benzotriazole

HCID 688194CAS 26198-21-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: On1nnc2ccc(C(F)(F)F)cc21
InChIKey: DGIBHCWBCOAPDN-UHFFFAOYSA-N
분자식: C7H4F3N3O
평균 분자량: 203.12 g/mol
단동위원소 질량: 203.03064641

이름 및 식별자

우선 이름: 1-Hydroxy-6-(trifluoromethyl)benzotriazole
IUPAC: 1-hydroxy-6-(trifluoromethyl)benzotriazole
현지명: 1-HYDROXY-6-(트리플루오로메틸)벤조트리아졸
영어명: 1-Hydroxy-6-(trifluoromethyl)benzotriazole
분자식: C7H4F3N3O
분자량: 203.12

이름 및 동의어

26198-21-01-hydroxy-6-(trifluoromethyl)benzotriazoleDTXSID50350825RefChem:230889DTXCID50301892674-886-86-Trifluoromethylbenzotriazol-1-ol1-hydroxy-6-(trifluoromethyl)-1h-benzotriazole1H-Benzotriazole, 1-hydroxy-6-(trifluoromethyl)-6-(trifluoromethyl)-1H-1,2,3-benzotriazol-1-olMFCD000388066-(Trifluoromethyl)-1H-benzo[d][1,2,3]triazol-1-ol

이름 더 보기

1-HYDROXY-6-(트리플루오로메틸)벤조트리아졸F-HOBt6-(TRIFLUORO-METHYL)-HOBT6-TrifluoroMethyl-benzotriazol-1-ol1-Hydro-6-(trifluoromethyl)benzotriazole6-trifluoromethyl-1-hydroxybenzotriazole1-HYDROXY-6-(TRIFLUOROMETHYL)BENZOTRIAZO1-Hydroxy-6-(trifluoromethyl)-1H-benzotriazol1-Hydroxy-6-(trifluoromethyl)benzotriazole>

C7H4F3N3O1-Hydroxy-6-trifluoromethylbenzotriazole1-Hydroxy-6-(trifluoromethyl)benzotriazol6-(Trifluoromethyl)-1H-benzotriazol-1-olMaybridge1_000309MLS000517139SCHEMBL1812769CHEMBL1890890

데이터베이스 식별자

CAS: 26198-21-0
PubChem CID: 688194
DTXSID: DTXSID50350825
ChEMBL: CHEMBL1890890
EC Number: 674-886-8
Nikkaji: J87.337C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 223

실험 및 물리화학적 성질

Solubility8.1 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 143 · 143-145°C
끓는 점: 328.6 · 328.6±52.0 °C(Predicted)
밀도: 1.69 · 1.69±0.1 g/cm3(Predicted)
저장 조건: Store at RT.
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 6.77 · 6.77±0.58(Predicted)
색상: 흰색에서 밝은 노란색
안정성: 충격에 민감할 수 있음
InChI: InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
InChIKey: DGIBHCWBCOAPDN-UHFFFAOYSA-N
SMILES: N1(O)C2=CC(C(F)(F)F)=CC=C2N=N1

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H240 (92.7%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSelf-react. A (92.7%)

안전 데이터

ridadr: UN 1325 4.1/PG II
HS 번호: 2933998090
risk_code: 5-36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 4.1

화학 및 산업

응용 분야

용도1-Hydroxy-6-(trifluoromethyl)benzotriazole is a fluorine benzotriazole pesticide.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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