5-METHYL-1,3-OXAZOLE-4-카르복실산

5-methyl-1,3-oxazole-4-carboxylic Acid

HCID 11355484

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 103879-58-9
표준 SMILES: Cc1ocnc1C(=O)O
InChIKey: QIACATCUODRSLS-UHFFFAOYSA-N
분자식: C5H5NO3
평균 분자량: 127.1 g/mol
단동위원소 질량: 127.02694302

이름 및 식별자

우선 이름: 5-methyl-1,3-oxazole-4-carboxylic Acid
IUPAC: 5-methyl-1,3-oxazole-4-carboxylic acid
현지명: 5-METHYL-1,3-OXAZOLE-4-카르복실산
영어명: 5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
분자식: C5H5NO3
분자량: 127.1

이름 및 동의어

103879-58-95-methyl-1,3-oxazole-4-carboxylic AcidDTXSID50463242RefChem:303911DTXCID40414061805-950-75-methyloxazole-4-carboxylic acidMFCD080563094-Oxazolecarboxylic acid, 5-methyl-5-methyl-4-oxazolecarboxylic acidSCHEMBL4397215-Methyl-oxazole-4-carboxylic acid

이름 더 보기

5-METHYL-1,3-OXAZOLE-4-카르복실산5-Methyl-oxazol-4-carboxylic acid4-Carboxy-5-methyl-1,3-oxazole5-Methyl-1,3-oxazole-4-carboxylicacid98%5-methyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)

QIACATCUODRSLS-UHFFFAOYSA-NALBB-022765SBB053173AKOS001836446DS-0303PS-5718SY015419DB-032179

데이터베이스 식별자

CAS: 103879-58-9
PubChem CID: 11355484
DTXSID: DTXSID50463242
EC Number: 805-950-7

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 125

물리화학적 성질

끓는 점: 274 ℃ · 274℃
밀도: 1.348 · 1.348
인화점: 120 ℃ · 120℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.06 · 3.06±0.31(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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.