Basic information
- CAS
12220-06-3- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3cccc(Nc4ccc(S(=O)(=O)[O-])cc4[N+](=O)[O-])c3)c(C)c2)cc1.[Na+]- InChIKey
GNFJBURFXWYRQN-UHFFFAOYSA-M- Molecular formula
- C26H21N4NaO8S2
- Average molar mass
- 604.6 g/mol
- Monoisotopic mass
- 604.06985027
Names & identifiers
- Preferred name
- Acid Orange 67
- IUPAC
- sodium 4-[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-3-nitrobenzenesulfonate
- English name
- Acid Orange 67
- Molecular formula
- C26H23N4NaO8S2
- Molecular weight
- 606.6
Names & synonyms
EINECS 235-406-9Benzenesulfonic acid, 4-((4-((2-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)phenyl)amino)-3-nitro-, monosodium saltBenzenesulfonic acid, 4-((4-(2-(2-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-3-nitro-, sodium salt (1:1)Sodium 4-(4-((2-methyl-4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)anilino)-3-nitrobenzenesulphonateBenzenesulfonic acid, 4-[[4-[[2-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-3-nitro-, monosodium saltBenzenesulfonic acid, 4-[[4-[2-[2-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-3-nitro-, sodium salt (1:1)sodium 4-[4-[[2-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]-3-nitrobenzenesulphonateRefChem:552620235-406-9Benzenesulfonic acid, 4-4-2-methyl-4-(4-methylphenyl)sulfonyloxyphenylazophenylamino-3-nitro-, monosodium saltAcid Orange 67C.I. ACID ORANGE 67
Show more names
Orange 67C.I.14172Yellow RXLAcidOrange3RAcid Orange F3R
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- Density
- 1.46 · 1.46[at 20℃]
- Water Solubility
- 330 mg/L · 330mg/L at 20℃
- LogP
- 1.03 at · 1.03 at 20℃
- EPA Substance Registry System
- 67 · C.I. Acid Orange 67 (12220-06-3)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 84.1% (53 of 63) of all reports.
H412 (15.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-[[4-[[2-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-3-nitro-, monosodium salt
REACH registered substance: Sodium 4-[4-[[2-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]-3-nitrobenzenesulphonate (EC: 235-406-9)
Benzenesulfonic acid, 4-4-2-methyl-4-(4-methylphenyl)sulfonyloxyphenylazophenylamino-3-nitro-, monosodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-[[4-[[2-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-3-nitro-, monosodium salt: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (15.9%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[[4-[2-[2-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-3-nitro-, sodium salt (1:1): ACTIVE
Applications
UsesAcid Orange 67 (CAS# 12220-06-3) is an organic azo dye used in the pigmentation of polyester blended fabrics. Acid orange 67 is also used as an analyte in the development of azo dye removal processes.
Preparation methods
Preparation4-(4-Aminophenylamino)-3-nitrobenzenesulfonic acid diazo, and a coupling m-Cresol, then use 4-Methylbenzene-1-sulfonyl chloride esterification.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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