二氟尼柳 ,22494-42-4 _ChemCD

二氟尼柳

basic_info
Product_Name：	二氟尼柳
CAS：	22494-42-4
中文同义词：	二氟尼柳
EnglishSynonyms：	5-[2,4-DIFLUOROPHENYL]SALICYLIC ACID ; 5-(2,4-DIFLUOROPHENYL)-2-HYDROXYBENZOIC ACID ; DIFLUSINAL ; DIFLUNISAL ; 2',4'-DIFLUORO-4-HYDROXY-BIPHENYL-3-CARBOXYLIC ACID ; 2',4'-DIFLUORO-4-HYDROXY[1,1'-BIPHENYL]-3-CARBOXYLIC ACID ; 4',6'-DIFLUORO-4-HYDROXYBIPHENYL-3-CARBOXYLIC ACID
pro_mdlNumber：	MFCD00057834
pro_acceptors：	3
pro_donors：	2
pro_smile：	c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O
InChi：	InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChiKey：	InChIKey=HUPFGZXOMWLGNK-UHFFFAOYSA-N
property
Comments：	OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF D3281. PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN RTECS: DV2030000 UNSPSC: 51000000 WGK: 3
Specification：	ANALYTICAL STANDARD
secure_info
secure_symbol：	GHS07 GHS08
secure_signal_word：	Warning
secure_risk_stmt：	H302-H315-H319-H335-H361
secure_cautionary_stmt：	P261-P281-P305 + P351 + P338
secure_damage_code：	Xn
secure_risk_disclosure_stmt：	R:63-22-36/37/38
secure_security_stmt：	S:22-26-36
secure_wgk_germany：	3

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