기본 정보
- CAS
144171-61-9- 표준 SMILES
COC(=O)N(C(=O)N1COC2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1- InChIKey
VBCVPMMZEGZULK-UHFFFAOYSA-N- 분자식
- C22H17ClF3N3O7
- 평균 분자량
- 527.8 g/mol
- 단동위원소 질량
- 527.07071222
이름 및 식별자
- 우선 이름
- Indoxacarb, (+-)-
- IUPAC
- methyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
- 현지명
- 인독사카브
- 영어명
- Indoxacarb
- 분자식
- C22H17ClF3N3O7
- 분자량
- 527.83
이름 및 동의어
144171-61-9(+-)-IndoxacarbIndeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl esterPKL1F8Y0FVDPX-JW062DTXSID3040801DPX-MP 062Indeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-, methyl esterDTXCID1020801Indoxacarb, (+-)-RefChem:791002(+/-)-Indoxacarb
이름 더 보기
인독사카브indeno[1,2-e][1,3,4}oxadiazine-4a(3h)carboxylicMETHYL 7-CHLORO-2,5-DIHYDRO-2-[N-(METHOXYCARBONYL)-4-(TRIFLUOROMETHOXY)ANILINOCARBONYL]INDENO[1,2-E][1,3,4]OXADIAZINE-4A(3H)CARBOXYLATE7-Chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid methyl ester2-e][1(RS)-FormINDOXACARBINDOXACARB-MPrac-IndoxacarbIndene bug wei(±)-Indoxacarb
Indoxacarb, (+/-)-UNII-PKL1F8Y0FVmethyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylateMethyl 7-chloro-2-((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylateINDOXACARB, (R,S)-HY-B0834INDOXACARB (RS)-FORM [MI]Tox21_303872
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 912
실험 및 물리화학적 성질
Collision Cross Section205.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3040801]
물리화학적 성질
- 녹는점
- 139 · 139-141℃
- 끓는 점
- 571.4 · 571.4±60.0 °C(Predicted)
- 밀도
- 1.53 · 1.53
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- Ethanol: soluble*
- 산도 계수 (pKa)
- -1.75 · -1.75±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- 주요 응용
- 농업환경
- InChI
- InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3
- InChIKey
- VBCVPMMZEGZULK-NRFANRHFSA-N
- SMILES
- O1C2(C(OC)=O)CC3=C(C2=NN(C(N(C(OC)=O)C2=CC=C(OC(F)(F)F)C=C2)=O)C1)C=CC(Cl)=C3
- EPA
- 1 · Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester (144171-61-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Hazard Classes and Categories
Acute Tox. 3 (51.3%)
Acute toxicity - category 3
Acute Tox. 3
안전 데이터
- wgk
- 3
- ridadr
- UN 3077
- 독성
- LD50 orally in rat: >5000 mg/kg; dermally in rabbit: >2000 mg/kg; LC50 in rat by inhalation: >2 mg/l; LC50 (96 hr) in bluegill sunfish, rainbow trout: >1.0, >0.5 mg/l (Harder)
- risk_code
- 22-36-43-50/53-57-48/25-20/22
- hazard_code
- Xn;N,N,Xn,T
- safety_code
- 26-36/37-60-61-45-37-24
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 1Skin Sens. 1BSTOT RE 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Indoxacarb is an oxadiazine pesticide that acts against lepidopteran larvae and is the active ingredient in a number of household insecticides including cockroach baits.
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