Basic information
- CAS
10127-05-6- Standard SMILES
Cc1cc(S(=O)(=O)[O-])ccc1-n1nc(C)c(N=Nc2cc(S(=O)(=O)[O-])ccc2C(=O)[O-])c1[O-].[Cr+3].[Na+].[Na+].[OH-]- InChIKey
HCVZUAZRMUUOLN-UHFFFAOYSA-I- Molecular formula
- C18H13CrN4Na2O10S2
- Average molar mass
- 607.4 g/mol
- Monoisotopic mass
- 606.927353
Overview
See also: Acid Yellow 54 (annotation moved to).
Names & identifiers
- Preferred name
- Chromate(2-), [2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl]diazenyl-kappaN1]-4-sulfobenzoato(4-)-kappaO]hydroxy-, sodium (1:2), (T-4)-
- IUPAC
- disodium;chromium(3+);2-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate;hydroxide
- English name
- Acid yellow 54
- Molecular formula
- C18H12CrN4NaO10S2-
- Molecular weight
- 583.42
Names & synonyms
DTXSID901022919Disodium (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl)azo)-4-sulphobenzoato(4-))hydroxychromate(2-)Chromate(2-), (2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-sulfobenzoato(4-)-kappaO)hydroxy-, sodium (1:2), (T-4)-Chromate(2-), [2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-sulfobenzoato(4-)-.kappa.O]hydroxy-, sodium (1:2), (T-4)-Disodium [2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl]azo]-4-sulphobenzoato(4-)]hydroxychromate(2-)Chromate(2-), [2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl]diazenyl-kappaN1]-4-sulfobenzoato(4-)-kappaO]hydroxy-, sodium (1:2), (T-4)-RefChem:576567DTXCID001507346233-355-7Acid Yellow 54C.I. ACID YELLOW 5410127-05-6
Show more names
CHROMOLAN YELLOWNeolan Yellow BE
Properties
Computed structural properties
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 930
Physicochemical properties
- form
- Powder
- color
- Rust-brown
- FDA UNII
- 0 Q3OP00P50 · 0Q3OP00P50
- EPA Substance Registry System
- 54 · C.I. Acid Yellow 54 (10127-05-6)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 351 · H351-H319-H335-H311-H301-H331-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 32041200 · 32041200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 32041200
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- safety_code
- 24/25
- Hazard statements
- H351-H319-H335-H311-H301-H331-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromate(2-), [2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-sulfobenzoato(4-)-.kappa.O]hydroxy-, sodium (1:2), (T-4)-: ACTIVE
Preparation methods
Preparation2-Amino-4-sulfobenzoic aciddiazo, and 3-Methyl-4-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid coupling, and then under certain pressure, in aqueous solution and formic acid chromium common heating, into chromium complex.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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