3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
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기본 정보
- CAS
69399-79-7- 표준 SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl- InChIKey
XJCUKCOLGJDGGN-UHFFFAOYSA-N- 분자식
- C11H6Cl2FNO2
- 평균 분자량
- 274.07 g/mol
- 단동위원소 질량
- 272.97596201
이름 및 식별자
- 우선 이름
- 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
- 영어명
- 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
- 분자식
- C11H6Cl2FNO2
- 분자량
- 274.08
이름 및 동의어
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chlorideFcimic chlorideFcmic chloride93Q1R37JBYEINECS 273-987-0UNII-93Q1R37JBYDTXSID402195184-Isoxazolecarbonyl chloride, 3-(2-chloro-6-fluorophenyl)-5-methyl-RefChem:92171DTXCID90142009XJCUKCOLGJDGGN-UHFFFAOYSA-N69399-79-7
이름 더 보기
3-(2-Chloro-6-Fluorophenyl)-5-Methylis3-(2-Chloro-6-fluorophenyl)-5-Methylisoxazol-4-oyl Chloride3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHL3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl ...4-Isoxazolecarbonylchloride, 3-(2-chloro-6-fluorophenyl)-5-Methyl-3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonylchloride97%3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride 97%3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid chloride
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl chlorideMFCD000556503-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL ISOXAZOLE-4-CARBONYL CHLORIDE3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonylchloride3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carbonyl chlorideCloxacillin Impurity N2SCHEMBL1065677
데이터베이스 식별자
- CAS
69399-79-7- PubChem CID
- 2736581
- DTXSID
DTXSID40219518- UNII
- 93Q1R37JBY
- EC Number
- 273-987-0
- Nikkaji
- J308.940A
물성
구조 계산 물성보충 중
- XLogP
- 3.7
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 녹는점
- 48 °C · 48 °C
- 끓는 점
- 368.3 · 368.3±42.0 °C(Predicted)
- 밀도
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- 증기압
- 0.002 Pa · 0.002Pa at 25℃
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -6.74 · -6.74±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- Faint beige to faint yellow
- 수용성
- 68.42 mg/L · 68.42mg/L at 25℃
- BRN
- 6867336 · 6867336
- InChI
- InChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3
- InChIKey
- XJCUKCOLGJDGGN-UHFFFAOYSA-N
- SMILES
- C(Cl)(C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)=O
- LogP
- 2.81 at · 2.81 at 25℃
화학적 성질
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is White to yellow crystal powde
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H311 (11.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 3 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/20670
Hazard Classes and CategoriesAcute Tox. 3 (11.1%)
안전 데이터
- ridadr
- 3261
- HS 번호
- 2934999090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-26/36/37/39/45-20
- 포장분류
- II
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive
화학 및 산업
응용 분야
용도3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.
관련 반응
50건
화합물 노트
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