3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산

3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산 · RARECHEM AL BO 1567 · Dicloxacillin Impurity D · Dicloxacillin EP Impurity D · (2S)-CIS-(+)-HYDROXY LACTUM · 3-(2,6-dichlorophenyl)-5-methy · Dicloxacillin Sodium impurity D · Dicloxacillin sodium EP Impurity D

https://huagongshe.com/ko/chemical/77521

식별자 및 물리적 특성

CAS No.	3919-76-4
분자식	C11H7Cl2NO3
평균 분자량	272.08 g/mol
단동위원소 질량	270.9802985 g/mol
SMILES	Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O
InChIKey	WQXUUMUOERZZAE-UHFFFAOYSA-N
PubChem CID	77521
EC No.	223-487-3
DTXSID	DTXSID5063233
현지명	3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산

화학 및 물리적 성질

XLogP	3.2
극성 표면적	63.3
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	17
형식 전하	0
복잡도	292
녹는점	221 °C
저장 조건	2-8°C
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
색상	옅은 노랑
BRN	806524
InChI	InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChIKey	WQXUUMUOERZZAE-UHFFFAOYSA-N
SMILES	O1C(C)=C(C(O)=O)C(C2=C(Cl)C=CC=C2Cl)=N1
EPA	4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- (3919-76-4)

화학적 성질

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid is White to creams oli

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (100%)
TSCA 등재 상태	TSCA listed
관세 코드	2935909550
위험 문구(R)	36/37/38-22
위험 표시	Xi
안전 문구(S)	22-36/37-36/37/39-26
위험 참고 사항	Harmful

용도

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid is used in the preparation of isoxazolyl penicillin derivatives.