3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산

4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-

HCID 77521

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3919-76-4
표준 SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O
InChIKey: WQXUUMUOERZZAE-UHFFFAOYSA-N
분자식: C11H7Cl2NO3
평균 분자량: 272.08 g/mol
단동위원소 질량: 270.9802985

이름 및 식별자

우선 이름: 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
현지명: 3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산
영어명: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid
분자식: C11H7Cl2NO3
분자량: 272.08

이름 및 동의어

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-GMQ99QP4XQEINECS 223-487-33-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic AcidDTXSID5063233DICLOXACILLIN SODIUM IMPURITY D [EP IMPURITY]DICLOXACILLIN SODIUM IMPURITY D (EP IMPURITY)RefChem:99530DTXCID9039602223-487-3

이름 더 보기

3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르복실산RARECHEM AL BO 1567Dicloxacillin Impurity DDicloxacillin EP Impurity D(2S)-CIS-(+)-HYDROXY LACTUM3-(2,6-dichlorophenyl)-5-methyDicloxacillin Sodium impurity D4-Carboxy-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole6-Dichlorophenyl)-5-Methylisoxazole-4-carboxylic acidDicloxacillin Impurity 4(Dicloxacillin EP Impurity D)

3919-76-45-Methyl-3-(2',6'-dichlorophenyl)-4-isoxazolecarboxylic acidMFCD000516583-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acidDicloxacillin Sodium EP Impurity DUNII-GMQ99QP4XQSCHEMBL316185STR04961

데이터베이스 식별자

CAS: 3919-76-4
PubChem CID: 77521
DTXSID: DTXSID5063233
UNII: GMQ99QP4XQ
EC Number: 223-487-3
Nikkaji: J41.157D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 292

물리화학적 성질

녹는점: 221 °C · 221 °C
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 옅은 노랑
BRN: 806524 · 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 · 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

GHS Classification · 5건

Warning

H302 (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.