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16071-86-6

Basic Information
CAS No.: 16071-86-6
Name: Direct Brown 95
Molecular Structure:
Molecular Structure of 16071-86-6 (Direct Brown 95)
Formula: C31H18CuN6Na2O9S
Molecular Weight: 760.11
Synonyms: C.I.Direct Brown 95 (7CI);Copper, [dihydrogen5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]salicylato(2-)]-,disodium salt (8CI);Benzoic acid,5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-,copper complex;Aizen Primula Brown BRLH;Aizen Primula Brown PLH;Amanil FastBrown BRL;Atlantic Fast Brown BRL;Atlantic Resin FastBrown BRL;Belamine Fast Brown BRLL;Benzanil Supra Brown BRLL;Benzanil SupraBrown BRLN;C.I. 30145;Calcodur Brown BRL;Chloramine Fast Cutch Brown PL;ChromeLeather Brown BRLL;Chrome Leather Brown BRSL;Cuprofix Brown GL;Derma FastBrown W-GL;Dialuminous Brown BRS;Diaphtamine Light BrownBRLL;Dicorel Brown LMR;Diphenyl Fast Brown BRL;Direct Brown BRL;Direct Fast Brown LMR;Direct Lightfast Brown M;Durazol Brown BR;EliaminaLight Brown BRL;Enianil Light Brown BRL;Fastusol Brown LBRSN;Fenaluz Brown BRL;Helion Brown BRSL;KCA Light Fast Brown BR;Kayarus Supra Brown BRS;Paranol Fast BrownBRL;Pontamine Fast Brown BRL;Pyrazoline Brown BRL;Saturn Brown LBR;Sirius Supra Brown BRS;Solar Brown PL;Solex Brown R;Sumilight Supra Brown BRS;
EINECS: 240-221-1
Density: N/A
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: Dark brown microcrystals or charcoal black powder
Hazard Symbols: ToxicT
Risk Codes: 45
Safety: 53-45
Transport Information: N/A
PSA: 238.79000
LogP: 9.60140
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    Winchem Industrial Co. Ltd is a leading manufacturer and exporter of Dyestuffs and Pigments for textiles, paper, plastics, inks, coating and other

  • Winchem Industrial Co. Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-574-83851061 86-574-87083208

    Address:Room 905, No.3 Building,East Business Center, 456 Xingning Road, Ningbo City,China

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  • Direct Brown 95

  • Casno:

    16071-86-6

    Direct Brown 95

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

  • Chemical Co.Ltd

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  • Direct Brown 95

  • Casno:

    16071-86-6

    Direct Brown 95

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

    Tel:+44 (0)208 191 7890

    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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  • Direct Brown 95

  • Casno:

    16071-86-6

    Direct Brown 95

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    We Are Pleased To Introduce Ourselves As Leading Manufacturers And Exporters Of Non Benzidiene Dyes. With An Installed Capacity Of 240 Metric Tonnes Per Annum. Our Manufacturing

  • Kamaldeep Colour Industries Pvt, Ltd.

    India  |  Contact Details

    Business Type:Manufacturers

    Tel:91-022-23432816

    Address:102, Raut Chambers, 340/42, Samuel Street, Vadgadi, Mumbai-400 003, INDIA.

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Chemistry

Molecule structure of C.I. Direct Brown (CAS NO.16071-86-6):

IUPAC Name: Copper disodium 2-oxido-5-[4-[4-[(2E)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,
6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate 
Molecular Weight: 760.09996 g/mol
Molecular Formula: C31H18CuN6Na2O9S
H-Bond Donor: 2
H-Bond Acceptor: 15
Rotatable Bond Count: 7
Tautomer Count: 17
Exact Mass: 758.994737
MonoIsotopic Mass: 758.994737
Topological Polar Surface Area: 251
Heavy Atom Count: 50
Complexity: 1380
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)=CC
(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2]
Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])N/N=C/4\C(=O)C=C/C(=N\NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])/C4=O.[Na+].[Na+].[Cu+2]
InChI: InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29+;;;
InChIKey: YSIIVKXVQXRKAN-FFLLBNMPSA-J
EINECS: 240-221-1
Product Categories: Organometallics

Uses

 C.I. Direct Brown (CAS NO.16071-86-6) is mainly used for dyeing of cotton fabrics.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 2gm/kg (2000mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 12060mg/kg (12060mg/kg)   Office of Toxic Substances Report. Vol. OTS,

Consensus Reports

IARC Cancer Review: Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 , 1982,p. 321.(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) ; Human Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 , 1982,p. 321.(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) ; NCI Carcinogenesis Bioassay (feed); Clear Evidence: rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-108 ,1978. ; No Evidence: mouse NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-108 ,1978. . Reported in EPA TSCA Inventory. Community Right-To-Know List.

Safety Profile

Low toxicity by ingestion. Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Na2O, SOx, and NOx.
Hazard Codes: ToxicT
Risk Statements: 45
R45:May cause cancer. 
Safety Statements: 53-45
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Analytical Methods

For occupational chemical analysis use NIOSH: Dyes, 5013.

Specification

 C.I. Direct Brown (CAS NO.16071-86-6) is also named as Aizen Primula Brown BRLH ; Aizen Primula Brown PLH ; Amanil Fast Brown BRL ; Amanil Supra Brown LBL ; Atlantic Fast Brown BRL ; Brown 4EMBL ; C.I. 30145 ; C.I. Direct Brown 95 ; CCRIS 168 ; CI 30145 ; Calcodur Brown BRL ; Chloramine Fast Brown BRL ; Cuprate(2-),(5-((4'-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxybenzoato(4-)), disodium ; Cuprofix Brown GL ; Direct Brown BRL ; Direct Fast Brown BRL ; Fastusol Brown LBRSA ; Fastusol Brown LBRSN ; Fenaluz Brown BRL ; Pontamine Fast Brown BRL ; Pontamine Fast Brown NP ; Pyrazol Fast Brown BRL ; Sumilight Supra Brown BRS ; Suprazo Brown BRL ; Suprexcel Brown BRL ; Tertrodirect Fast Brown BR ; Tetramine Fast Brown BRDN Extra ; Tetramine Fast Brown BRP .  C.I. Direct Brown (CAS NO.16071-86-6) is a dark brown microcrystals or charcoal black powder. It is slightly water soluble. It is an azo compound. Azo dyes can be explosive when suspended in air at specific concentrations. . Toxic gases are formed by mixing azo compounds 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. However, it is probably combustible.