항피린카복실산

Antipyric acid

HCID 246564

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 83-10-3
표준 SMILES: Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKey: DHFYEFAILLBNHD-UHFFFAOYSA-N
분자식: C12H12N2O3
평균 분자량: 232.23 g/mol
단동위원소 질량: 232.08479224

이름 및 식별자

우선 이름: Antipyric acid
IUPAC: 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
현지명: 항피린카복실산
영어명: Antipyrinecarboxylic acid
분자식: C12H12N2O3
분자량: 232.24

이름 및 동의어

83-10-3Antipyric acid4-Antipyrinecarboxylic acidDTXSID502892071H-Pyrazole-4-carboxylic acid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-RefChem:113239DTXCID50240353DHFYEFAILLBNHD-UHFFFAOYSA-N1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acidMFCD00020785ANTIPYRINECARBOXYLIC ACID

이름 더 보기

항피린카복실산112688NSC 59834RARECHEM AL BE 06631,5-dimethyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carboxylic acid3-keto-1,5-dimethyl-2-phenyl-pyrazole-4-carboxylic acid

SCHEMBL1977361,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylicacidF505152,3-Dimethyl-1-phenyl-3-pyrazolin-5-one-4-carboxylic acid1H-Pyrazole-4-carboxylic acid,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid #1,5-Dimethyl-3-oxo-2-phen2,3-dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carboxylic acid

데이터베이스 식별자

CAS: 83-10-3
PubChem CID: 246564
DTXSID: DTXSID50289207
EC Number: 635-123-4
Nikkaji: J1.429.794D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 60.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 383

물리화학적 성질

녹는점: 214 °C · 214 °C
끓는 점: 363 · 363.0±52.0 °C(Predicted)
밀도: 1.342 · 1.342±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.47 · 6.47±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.