Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogen

Chromate(3-),bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-,sodium dihydrogen · Chromate(3-), bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogen · Chromate(3-), bis3-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-ylazo-.kappa.N1-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)-, sodium dihydrogen

https://huagongshe.com/ja/chemical/175487

Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogen の分子構造式

識別子と物理属性

CAS No.	73507-64-9
分子式	C32H22CrN10NaO14S2
平均分子量	909.7 g/mol
単同位体質量	909.006112 g/mol
SMILES	CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(S(=O)(=O)[O-])C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-].[Cr+3].[H+].[H+].[Na+]
InChIKey	NCQIJCAMPYGCRD-GLCFPVLVSA-L
PubChem CID	175487
EC No.	686-728-5
DTXSID	DTXSID70904925

化学・物理的性質

極性表面積	389
水素結合供与体数	2
水素結合受容体数	21
回転可能結合数	5
重原子数	60
形式電荷	0
複雑度	705
EPAの化学物質情報	Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogen (73507-64-9)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.WarningH319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Eye Irrit. 2 (16.7%)
TSCA 収載状態	TSCA listed

Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogen

識別子と物理属性

CAS No.

73507-64-9

分子式

C32H22CrN10NaO14S2

平均分子量

909.7 g/mol

単同位体質量

909.006112 g/mol

SMILES

CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(S(=O)(=O)[O-])C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-].[Cr+3].[H+].[H+].[Na+]

InChIKey

NCQIJCAMPYGCRD-GLCFPVLVSA-L

PubChem CID

175487

EC No.

686-728-5

DTXSID

DTXSID70904925

化学・物理的性質

極性表面積

389

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

705

EPAの化学物質情報

Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogen (73507-64-9)

安全性と法規制

GHS 分類

This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.WarningH319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Eye Irrit. 2 (16.7%)

TSCA 収載状態

TSCA listed