3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르보닐클로라이드

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

HCID 78212CAS 4462-55-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl
InChIKey: IZQGELJKDARDMZ-UHFFFAOYSA-N
분자식: C11H6Cl3NO2
평균 분자량: 290.5 g/mol
단동위원소 질량: 288.94641147

이름 및 식별자

우선 이름: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
현지명: 3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르보닐클로라이드
영어명: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
분자식: C11H6Cl3NO2
분자량: 290.53

이름 및 동의어

4462-55-93-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chlorideDTXSID1057747PB71YVH5F24-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-EINECS 224-723-83-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chlorideDTXCID20315363-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chlorideRefChem:490152224-723-8Dcimc chloride

이름 더 보기

3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르보닐클로라이드D4776Dizole chlorideSide chain of DicloxacilinDcimc chloride, 10 mM in DMSO3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLEDICHLOROPHENYL-5-METHYLISOXAZOLE-4-CARBONYLCHLORIDE3-(2,6-DICHLOROPHENYL)-5-METHYL-4-CHLOROCARBONYL ISOXAZOLE3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonylchlorid3-(2-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchlorideMFCD000525563-(2,6-Dichlorophenyl)-5-methyl isoxazole-4-carbonyl chlorideC11H6Cl3NO2UNII-PB71YVH5F2orb1222253orb1303950

데이터베이스 식별자

CAS: 4462-55-9
PubChem CID: 78212
DTXSID: DTXSID1057747
ChEMBL: CHEMBL3183862
UNII: PB71YVH5F2
EC Number: 224-723-8
Nikkaji: J185.665K

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 292

물리화학적 성질

녹는점: 92 °C · 92 °C
끓는 점: 390.9 · 390.9±42.0 °C(Predicted)
밀도: 1.472 · 1.472±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -6.62 · -6.62±0.50(Predicted)
색상: 흰색에서 거의 흰색
수용성: 22.98 mg/L · 22.98mg/L at 25℃
LogP: 3.26 at · 3.26 at 25℃
EPA: 4 · 4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl- (4462-55-9)

화학적 성질

Yellow to brown powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (56.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20648

Hazard Classes and CategoriesSkin Corr. 1B (56.5%)

안전 데이터

tsca: TSCA listed
ridadr: 3261
HS 번호: 2934999090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-36/37/39/45
위험 참고 사항: Corrosive

화학 및 산업

용도 및 제조

General Manufacturing Information4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-: ACTIVE

응용 분야

용도3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.

상·하류 제품 정보

상류 원료

아세톡시아세트산 3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산 2,6-디클로로톨루엔 인 펜타염화물 염산 히드록실아민 에틸5-메틸이속사졸-4-카르복실레이트 2,6-디클로로-N-하이드록시벤젠카복스이미도일클로라이드 메틸3-(2,6-디클로로페닐)-5-메틸리속사졸-4-카르복실레이트 에틸3-(2,6-DICHLORO-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLATE 2,6-Dichlorobenzaldoxime 2,6-디클로로벤즈알데히드

하류 제품

Dicloxacillin sodium 3-(2,6-디클로로페닐)-5-메틸리속사졸-4-탄수화물

공급사50 곳

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

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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