2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid

HCID 2775651

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18955-88-9
표준 SMILES: Cc1nc(C(=O)O)c(C(F)(F)F)o1
InChIKey: CPJRDBNLRNFKFI-UHFFFAOYSA-N
분자식: C6H4F3NO3
평균 분자량: 195.1 g/mol
단동위원소 질량: 195.01432748

이름 및 식별자

우선 이름: 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid
IUPAC: 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
영어명: 2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
분자식: C6H4F3NO3
분자량: 195.1

이름 및 동의어

18955-88-92-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic AcidDTXSID30379635RefChem:263517DTXCID90330661671-244-92-Methyl-5-(trifluoromethyl)oxazole-4-carboxylic acidMFCD019413184-Carboxy-2-methyl-5-(trifluoromethyl)-1,3-oxazoleSCHEMBL5692072-methyl-5-trifluoromethyloxazole-4-carboxylic acid4-Oxazolecarboxylicacid, 2-methyl-5-(trifluoromethyl)-

이름 더 보기

2-(3-methoxyphenyl)propanedialN-(3-Methoxy-phenyl)-malonamicacidethylester4-Oxazolecarboxylic acid, 2-methyl-5-(trifluoromethyl)-2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid 95+%

SBB053180AKOS006230217AT29267PS-6696CS-0316382ST509496262-methyl-5-trifluoromethyl-4-oxazolecarboxylic acid2-methyl-5(trifluoromethyl)-oxazole-4-carboxylic acid

데이터베이스 식별자

CAS: 18955-88-9
PubChem CID: 2775651
DTXSID: DTXSID30379635
EC Number: 671-244-9

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 61 · 61-64
끓는 점: 254.2 · 254.2±40.0 °C(Predicted)
밀도: 1.526 · 1.526±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.51 · 2.51±0.36(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.