3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride · 3-(2-Chloro-6-Fluorophenyl)-5-Methylis · 3-(2-Chloro-6-fluorophenyl)-5-Methylisoxazol-4-oyl Chloride · 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHL · 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl ... · 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE · 4-Isoxazolecarbonylchloride, 3-(2-chloro-6-fluorophenyl)-5-Methyl- · 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonylchloride97%

https://huagongshe.com/ko/chemical/2736581

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride 분자 구조식

식별자 및 물리적 특성

CAS No.	69399-79-7
분자식	C11H6Cl2FNO2
평균 분자량	274.07 g/mol
단동위원소 질량	272.97596201 g/mol
SMILES	Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl
InChIKey	XJCUKCOLGJDGGN-UHFFFAOYSA-N
PubChem CID	2736581
EC No.	273-987-0
DTXSID	DTXSID40219518

화학 및 물리적 성질

XLogP	3.7
극성 표면적	43.1
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	17
형식 전하	0
복잡도	305
녹는점	48 °C
끓는 점	368.3±42.0 °C(Predicted)
밀도	1.445±0.06 g/cm3(Predicted)
증기압	0.002Pa at 25℃
저장 조건	2-8°C
pKa(산도 계수)	-6.74±0.50(Predicted)
물리적 상태	고체
색상	Faint beige to faint yellow
용해도	68.42mg/L at 25℃
BRN	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(분배 계수)	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

GHS 분류	DangerH311 (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.
규제 정보	Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20670
Hazard Classes and Categories	Acute Tox. 3 (11.1%)
운송 번호(UN)	3261
관세 코드	2934999090
위험 문구(R)	34
위험 표시	C
안전 문구(S)	26-36/37/39-45-26/36/37/39/45-20
포장분류	II
위험 등급	8
위험 참고 사항	Corrosive

용도

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.