기본 정보
- CAS
99267-18-2- 표준 SMILES
Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1- InChIKey
OMFRMAHOUUJSGP-UHFFFAOYSA-N- 분자식
- C23H22ClF3O2
- 평균 분자량
- 422.9 g/mol
- 단동위원소 질량
- 422.1260421
이름 및 식별자
- 우선 이름
- 2-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate
- IUPAC
- (2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
- 영어명
- 2-Methyl-3-phenylbenzyl-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)2,2-dimethyl cyclopanecarboxylate
- 분자식
- C23H22ClF3O2
- 분자량
- 422.87
이름 및 동의어
DTXSID206699512-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylateRefChem:263310DTXCID7081035099267-18-2trans-Bifenthtin(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylateSCHEMBL22469SCHEMBL4331886AKOS037654002(2-methyl-3-phenylphenyl)methyl 2,2-dimethyl-3-(2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylate(2-Methyl[1,1'-biphenyl]-3-yl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
이름 더 보기
2-Methyl-3-phenylbenzyl 2-(2-chloro-3,3,3-trifluoro-1-propenyl)-3,3-dimethylcyclopropanecarboxylate2-Methyl-3-phenylbenzyl-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)2,2-dimethyl cyclopanecarboxylate1-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl}-2-(2-methyl-3-biphenylyl)ethanone3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid (2-methylbiphenyl-3-yl)methyl Ester
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 622
물리화학적 성질
- 끓는 점
- 453.156 · 453.156±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 인화점
- 8 °C · 8°C
- 저장 조건
- 2 · 2-8°C
- 주요 응용
- 농업환경
- InChI
- 1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1
- InChIKey
- OMFRMAHOUUJSGP-JHEGMOCKSA-N
- SMILES
- Cc1c(COC(=O)[C@H]2[C@@H](\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c3ccccc3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Skin Sens. 1 (100%)；Acute Tox. 3 (100%)；Carc. 2 (100%)；STOT RE 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
안전 데이터
- wgk
- 3
- rtecs
- GZ1227800
- ridadr
- UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
공급사7 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
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