Basic information
- CAS
532-82-1- Standard SMILES
Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1- InChIKey
MCTQNEBFZMBRSQ-UHFFFAOYSA-N- Molecular formula
- C12H12N4.ClH
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.0828741
Overview
C.i. basic orange 2 appears as red-brown powder, large black shiny crystals with a green luster or purple powder. (NTP, 1992)
Names & identifiers
- Preferred name
- C.I. Basic Orange 2
- IUPAC
- 4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
- English name
- Basic Orange 2
- Molecular formula
- C12H12N4.ClH
- Molecular weight
- 248.71
Names & synonyms
Show more names
Database identifiers
- CAS
532-82-1- PubChem CID
- 10771
- DTXSID
DTXSID0024559- ChEMBL
CHEMBL1524085- ChEBI
CHEBI:82424- UNII
- 2431787HMZ
Properties
Computed structural properties
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 235 °C · 235 °C (dec.)(lit.)
- Boiling point
- 2262 °C · 2262°C
- Density
- 1.2171 · 1.2171 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- storage temp.
- room temp
- solubility
- Soluble in water, ethanol, acetone, methyl cellosolve, xylene; practically insoluble in Ibenzene
- Colour Index
- 11270 · 11270
- form
- Crystalline Powder
- pka
- 5.41 · 5.41
- color
- Bordeaux to deep purple
- PH Range
- Orange (4.0) to yellow (7.0)
- Odor
- Odorless
- λmax
- 449 nm · 449nm
- Merck
- 13 · 13,2279
- BRN
- 3724653 · 3724653
- Major Application
- Recording materials, waveguides, thin solid films, photographic materials, printing plates, inks, toners, detergents, corrosion inhibitors, rubber, textiles, hair dyes
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H
- InChIKey
- MCTQNEBFZMBRSQ-GEEYTBSJSA-N
- SMILES
- Cl[H].Nc1ccc(N=Nc2ccccc2)c(N)c1
- CAS DataBase Reference
- 532 · 532-82-1(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2-5
- FDA UNII
- 2431787 HMZ · 2431787HMZ
- IARC
- 3 · 3 (Vol. 8, Sup 7) 1987
- EPA Substance Registry System
- 2 · C.I. Basic Orange 2, monohydrochloride (532-82-1)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H341-H410
- Precautionary statements
- 201 · P201-P273-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
- Hazard Codes
- N,Xn
- Risk Statements
- 50 · 50/53-68-41-38-22
- Safety Statements
- 60 · 60-61-46-36/37/39-26-23
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 3380000 · ST3380000
- TSCA
- TSCA listed
- HS Code
- 32129000 · 32129000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Muta. 2Skin Irrit. 2
- Hazardous Substances Data
- 532 · 532-82-1(Hazardous Substances Data)
- Toxicity
- 50 mg/plate · mma-sat 50 mg/plate MUREAV 44,9,77
Safety & regulation
Hazard information
Reactivity Profile
C.I. BASIC ORANGE 2 is an azo compound. Toxic gases are formed by mixing compounds containing azo groups with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. This chemical is incompatible with strong oxidizing agents. (NTP, 1992)
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ST3380000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 32129000
- Toxicity
- mma-sat 50 mg/plate MUREAV 44,9,77
- risk_code
- 50/53-68-41-38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08,GHS09
- hazard_code
- N,Xn
- safety_code
- 60-61-46-36/37/39-26-23
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H318-H341-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Muta. 2Skin Irrit. 2
- Precautionary statements
- P201-P273-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
- Hazardous Substances Data
- 532-82-1(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Applications
UsesOrange dye for cotton and silk.
General DescriptionRed-brown powder, large black shiny crystals with a green luster or purple powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionA dye made from aniline.
Related reactions
Compound notes
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