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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6442001생성일: 2026년 11월 4일

4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt, compound with triethylamine

https://huagongshe.com/ko/chemical/6442001

4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt, compound with triethylamine 분자 구조식

식별자 및 물리적 특성

CAS No.90066-12-9
분자식C29H27N5Na4O12S2
평균 분자량793.6 g/mol
단동위원소 질량793.06884079 g/mol
SMILESCCN(CC)CC.O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)/C1=C\C=C\c1c(C(=O)[O-])[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O.[Na+].[Na+].[Na+].[Na+]
InChIKeyWITYRCRVSBWUEK-YZCLWIHFSA-J
PubChem CID6442001
EC No.290-098-3

화학 및 물리적 성질

극성 표면적280
수소 결합 공여자 수1
수소 결합 수용자 수15
회전 가능 결합 수7
무거운 원자 수52
형식 전하0
복잡도1,470

안전 및 규제

GHS 분류WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesSkin Sens. 1 (100%)