CAS No.842-07-9,Sudan I Suppliers

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Basic Information

Molecular Structure:
CAS No.:	842-07-9
Name:	Sudan I
Article Data:	104

Formula:	C₁₆H₁₂N₂O
Molecular Weight:	248.284
Synonyms:	2-Naphthalenol,1-(phenylazo)- (9CI);Sudan Yellow (6CI);1-Benzeneazo-2-naphthol;1-Phenylazo-b-naphthol;C.I. 12055;Calcogas Orange NC;Disperse Yellow 97;Enial Orange I;Fast Orange;Fat Orange G;Fat Orange R;Fat Orange RS;Grasal Orange;HidacoOil Orange;Morton Orange Y;OilOrange;Oil Orange 2311;Oil Orange 2B;Oil Orange 5101;Oil Orange E;Oil Orange PEL;Oil Orange R;Oil Orange Z-7078;Oil orange PS;Orange 3RA Soluble inGrease;Orange JLS-PS;Orange Pel;Orange R Fat Soluble;Stearix Orange;Sudan Orange 220;Sudan Orange RA;Tertrogras Orange SV;Waxoline Orange EP-FW;WaxolineYellow I;Waxoline Yellow IP;a-Phenylazo-b-naphthol;
EINECS:	212-668-2
Density:	1.175 g/cm³
Melting Point:	131-133 °C
Boiling Point:	443.653 °C at 760 mmHg
Flash Point:	290.196 °C
Solubility:	0.5 g/L (30 °C) in water
Appearance:	orange-red powder
Hazard Symbols:	Xn
Risk Codes:	68-53-43-40
Safety:	61-46-36/37-22
PSA:	44.95000
LogP:	4.96080

Synthetic route

: 62-53-3
aniline

: 135-19-3
β-naphthol

: 842-07-9
Sudan I

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In water at 20℃; for 0.5h;	99%
Stage #1: aniline With hydrogenchloride; sodium nitrite In water at 20℃; for 0.333333h; Green chemistry; Stage #2: β-naphthol In water at 20℃; for 0.666667h; Green chemistry;	99%
Stage #1: aniline With hydrogenchloride In water at 0 - 5℃; for 0.0833333h; Stage #2: β-naphthol In water for 0.0833333h;	98%

: 100-34-5
benzene diazonium chloride

: 135-19-3
β-naphthol

: 842-07-9
Sudan I

Conditions

Conditions	Yield
With sodium hydroxide In water at 0℃; for 0.00555556h; Flow reactor; Large scale; Green chemistry;	95%
With sodium hydroxide In ethanol; water for 0.166667h; Ambient temperature;	93%
With sodium hydroxide In water for 0.35h;	89%

: 135-19-3
β-naphthol

: benzenediazonium o-benzenedisulfonimide

: 842-07-9
Sudan I

Conditions

Conditions	Yield
With sodium hydroxide In water for 0.333333h;	93%

: 62-53-3
aniline

: 135-19-3
β-naphthol

A: 842-07-9
Sudan I

B: 1602-30-8, 93449-60-6
1-phenyl-azo-2-naphthol

Conditions

Conditions	Yield
Stage #1: aniline With hydrogenchloride In water at 0 - 5℃; for 0.0833333h; Stage #2: With 1-(4-(nitrosooxy)butyl)-3-methylimidazolium chloride In water at 0 - 5℃; for 0.416667h; Stage #3: β-naphthol With sodium hydroxide In water at 0℃; for 0.416667h;	A 87% B n/a

...Expand

: 93680-28-5
C7H7N7

: 135-19-3
β-naphthol

: 842-07-9
Sudan I

Conditions

Conditions	Yield
With trifluoroacetic acid In benzene at 65℃; for 3h;	84%

: 135-19-3
β-naphthol

: 29110-75-6
N'-tosyl phenylhydrazine

: 842-07-9
Sudan I

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 20℃; for 8h;	80%

: {Ru(NO)(NO2)(C5H4N(C6H5N2))2}(2+)*2ClO4(1-) = {Ru(NO)(NO2)(C5H4N(C6H5N2))2}(ClO4)2

: 135-19-3
β-naphthol

A: {Ru(CH3CN)(NO2)(C5H4N(C6H5N2))2}(1+)*ClO4(1-)*H2O = {Ru(CH3CN)(NO2)(C5H4N(C6H5N2))2}(ClO4)*H2O

B: 842-07-9
Sudan I

Conditions

Conditions	Yield
With aniline In acetonitrile added aniline to a soln. of Ru-complex; stirred for 30 min at room temp.; evapd. to dryness; extracted with ice-cold water; filtrated; added β-naphthol with stirring over a period of 15 min; sepd.; recrystd. from methanol; dried residue obtained after water extraction; dissolved in CH2Cl2; added hexane; filtered; dried in vacuo; elem. anal.;	A 60% B n/a

...Expand

: 60285-31-6
N,N'-diphenyl-N-nitroso-urea

: 135-19-3
β-naphthol

: 842-07-9
Sudan I

Conditions

Conditions	Yield
In benzene for 2h; Heating;	56%
In ethanol for 72h; Product distribution; Ambient temperature; further 1,3 diaryl-1-nitrosoureas;	25.3%
With sodium hydroxide In ethanol for 0.0833333h; Ambient temperature;	58 % Spectr.
In ethanol for 72h; Ambient temperature;	25.3 % Spectr.

: 135-19-3
β-naphthol

: 17478-75-0, 43187-18-4, 127838-75-9
N'-(4-methoxy-phenyl)-N-phenyl-diazene-N-oxide

A: 56661-22-4
2-hydroxy-4-methoxyazobenzene

B: 842-07-9
Sudan I

Conditions

Conditions	Yield
In benzene for 3h; Irradiation;	A 45% B 12%

...Expand

: 104354-92-9, 109577-22-2
1-Phenyl-1-phenylazo-eth-1-yl-hydroperoxide; compound with benzene

: 135-19-3
β-naphthol

: 842-07-9
Sudan I

Conditions

Conditions	Yield
Product distribution; Mechanism; Ambient temperature; reactions of α-azohydroperoxides with solvents;	44%

Raw Materials

628-13-7

2684-02-8

622-37-7

142-04-1

2283-08-1

66217-76-3

587-14-4

71-43-2

Downstream Products

88-75-5

103-72-0

612-40-8

2834-92-6

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 8 ,1975,p. 225.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (feed); Clear Evidence: rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-226 ,1982. . Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The IUPAC name of SudanI is (1Z)-1-(phenylhydrazinylidene)naphthalen-2-one. With the CAS registry number 842-07-9, it is also named as C.I. Solvent Yellow 14; 2-Hydroxy-1-phenylazonaphthalene. The product's categories are dyes and pigments; organics; solvent dyestuff. It is orange-red powder which is insoluble in water, slightly soluble in ethanol, easily soluble in oil and mineral oil, and soluble in acetone and benzene. This chemical is an azo compound. 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. SudanI is incompatible with strong oxidizing agents and strong acids.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 975; (6)ACD/BCF (pH 7.4): 975; (7)ACD/KOC (pH 5.5): 4798; (8)ACD/KOC (pH 7.4): 4798; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 75.596 cm³; (14)Molar Volume: 211.353 cm³; (15)Polarizability: 29.969×10^-24 cm³; (16)Surface Tension: 46.836 dyne/cm; (17)Enthalpy of Vaporization: 72.834 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 4; (21)Exact Mass: 248.094963; (22)MonoIsotopic Mass: 248.094963; (23)Topological Polar Surface Area: 41.5; (24)Heavy Atom Count: 19.

Preparation of SudanI: It can be obtained by naphthalen-2-ol and N-nitroso-N,N'-diphenyl-urea with reagent 1 N sodium hydroxide and solvent ethanol at ambient temperature. The reaction time is 5 min. The yield is 58 % Spectr.

Uses of SudanI: It is not only used for coloring shoe polish, floor wax, grease, etc., but also for the manufacture of fireworks and lacquer. And it is also used as a biological stain and oil stain. In addition, it can react with 2-(2-bromo-ethoxy)-tetrahydro-pyran to get phenyl-{2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-naphthalen-1-yl}-diazene. This reaction which is etherification needs reagent potassium carbonate and solvent dimethylformamide at temperature of 80°C. The reaction time is 12 hours. The yield is 99.5%.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by skin contact and may cause long-term adverse effects in the aquatic environment, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves. If swallowed, seek medical advice immediately and show this container or label. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES: Oc3ccc1ccccc1c3/N=N/c2ccccc2;
2. InChI: InChI=1/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+.