5-Methyl-2-phenyl-4-oxazoleacetic acid

HCID 2775139

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107367-98-6
표준 SMILES: Cc1oc(-c2ccccc2)nc1CC(=O)O
InChIKey: XEWJNPORMBGGKZ-UHFFFAOYSA-N
분자식: C12H11NO3
평균 분자량: 217.22 g/mol
단동위원소 질량: 217.07389321

이름 및 식별자

우선 이름: 5-Methyl-2-phenyl-4-oxazoleacetic acid
IUPAC: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
영어명: 2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID
분자식: C12H11NO3
분자량: 217.22

이름 및 동의어

107367-98-62-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acidPeliglitazar metabolite M2SLX00C89032-Phenyl-5-methyloxazole-4-acetic acid5-Methyl-2-phenyl-4-oxazoleacetic acid5-methyl-2-phenyloxazol-4-ylacetic acid4-Oxazoleacetic acid, 5-methyl-2-phenyl-DTXSID40379409RefChem:537040DTXCID00330435600-820-4

이름 더 보기

BUTTPARK 37\06-802-Phenyl-5-methyl-oxazol-4-acetic acid(5-METHYL-2-PHENYLOXAZOL-4-YL)ACETIC ACID2-(5-Methyl-2-phenyl-oxazol-4-yl)-acetic acid2-methyl-4-thiophen-2-yl-3-quinolinecarboxylic acid ethyl ester

(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid2-(5-methyl-2-phenyloxazol-4-yl)acetic acidMFCD00100005UNII-SLX00C8903SMR000126723Maybridge1_0021182-(5-methyl-2-phenyl-oxazol-4-yl)acetic acidMLS000544966

데이터베이스 식별자

CAS: 107367-98-6
PubChem CID: 2775139
DTXSID: DTXSID40379409
ChEMBL: CHEMBL1482432
UNII: SLX00C8903
EC Number: 600-820-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 251

물리화학적 성질

녹는점: 131 °C · 131 °C
끓는 점: 411.7 · 411.7±37.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.8 · 3.80±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2916399090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

상·하류 제품 정보

상류 원료

공급사22 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]

화합물 노트

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