Vat Yellow 2

Iupac Name：6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione

CAS No.: 129-09-9

Molecular Weight：474.55300

Modify Date.: 2022-10-27 21:27

Introduction: Used for color matching and printing of cotton and silk fabrics, and also for dyeing viscose, polyester/cotton, and cotton/cotton View more+

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1. Names and Identifiers

1.1 Name: Vat Yellow 2
1.2 Synonyms: 1-d:6,5-d’)bisthiazole-6,12-dione,2,8-diphenyl-anthra( 1-d:6,5-d’]bisthiazole-6,12-dione,2,8-diphenyl-anthra[ 2,8-Diphenyl-anthra[2,1-d,6,5-d']bisthiazol-6,12-dion 2,8-diphenyl-anthra[2,1-d,6,5-d']bisthiazole-6,12-dione ahcovatflavonegc ahcovatflavonegcn Algol Yellow GC Anthra Yellow Anthra Yellow GC C.I. Vat yellow 2 C.I.Vat Yellow Caledon Yellow-5G Cibanone Yellow-GC EINECS 204-931-5 Flavon GC Flavone GC Base Heliane Yellow J INDANTHRENE YELLOW GCN Tinon Yellow GC Tinon Yellow GCP Vat Yellow 2(67300) Vat Yellow-2 (C.I.)

1.3 CAS No.: 129-09-9

1.4 CID: 31425

1.5 EINECS(EC#): 204-931-5

1.6 Molecular Formula: C28H14N2O2S2 (isomer)

1.7 Inchi: InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H

1.8 InChkey: GFFQNEGBFFGLQG-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)C2=NC3=C(S2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5SC(=N6)C7=CC=CC=C7

1.10 Isomers Smiles: C1=CC=C(C=C1)C2=NC3=C(S2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5SC(=N6)C7=CC=CC=C7

2. Properties

2.1 Density: 1.467 g/cm3

2.1 Boiling point: 727.3ºC at 760 mmHg

2.1 Refractive index: 1.786

2.1 Flash Point: 393.6ºC

2.1 Precise Quality: 474.05000

2.1 PSA: 116.40000

2.1 logP: 7.01540

2.1 Appearance: Yellow-brown powder

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 22 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 13 of 22 companies. For more detailed information, please visit ECHA C&L website

Of the 2 notification(s) provided by 9 of 22 companies with hazard statement code(s):

H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

3.2 Methods of Manufacturing: CONVERSION OF 2,6-DIBENZAMIDOANTHRAQUINONE; TO THE IMINOCHLORIDE; FOLLOWED BY SULFURIZATION WITH SULFUR; AND NAPHTHALENE; OR WITH AQUEOUS SODIUM HYDROSULFIDE;

4. Safety and Handling

4.1 Report: Reported in EPA TSCA Inventory.

4.2 Safety: An eye irritant. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

4.3 Toxicity

???

eye-rbt 500?mg/24H MLD

???

85JCAE ?? Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.:?Avicenum,1986,1331.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Computational chemical data

Molecular Weight: 474.55300g/mol
Molecular Formula: C₂₈H₁₄N₂O₂S₂
Compound Is Canonicalized: True
XLogP3-AA: 7.1
Exact Mass: 474.04967004
Monoisotopic Mass: 474.04967004
Complexity: 744
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 116
Heavy Atom Count: 34
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB7MABgAAAAAAAAAAAAAAAAAWLAAAAwYMGDAAAAAFjB/gAAHgQAAAAADAyB3gAwwbIIEAisA6RyRACD8KBlCjgImDUwZNgIILLglZGEIQhggADoyYcdicCeiAAAwAAUAQCQAAWAACgCAAAAAAAAAA==

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