2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid (CAS 15086-94-9) — formula C20H8Br4O5, molecular weight 647.9; category organic chemicals.
| CAS Number | 15086-94-9 |
|---|---|
| Molecular Formula | C20H8Br4O5 |
| Molecular Weight | 647.9 |
| LogP | 6.2 |
| Applications | Use Classification: Cosmetics -> Hair dyeing, Household Products: Cosmetics product ingredient: Spiro[isobenzofuran-1(3H), 9'-[9H]xanthen]-3-one, 2', 4', 5', 7'-tetrabromo-3', 6'-dihydroxy-(and related compounds) (Red 21, Solvent red 43, Aka223), Reason for Listing: Listed as Persistent, Bioaccumulative, and Inherently Toxic to the environment by the Canadian Environmental Protection Act Environmental Registry Domestic Substances List., Potential Health Impacts: Bioaccumulation Environmental, Persistence, and Undefined Toxicity, Product count: 38, Information on 4 consumer products that contain D & C Red no. 21 in the following categories is provided:, • Personal Care, General Manufacturing Information: Spiro[isobenzofuran-1(3H), 6'-dihydroxy-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Cosmetics -> Hair dyeing, Household Products: Cosmetics product ingredient: Spiro[isobenzofuran-1(3H), 9'-[9H]xanthen]-3-one, 2', 4', 5', 7'-tetrabromo-3', 6'-dihydroxy-(and related compounds) (Red 21, Solvent red 43, Aka223), Reason for Listing: Listed as Persistent, Bioaccumulative, and Inherently Toxic to the environment by the Canadian Environmental Protection Act Environmental Registry Domestic Substances List., Potential Health Impacts: Bioaccumulation Environmental, Persistence, and Undefined Toxicity, Product count: 38, Information on 4 consumer products that contain D & C Red no. 21 in the following categories is provided:, • Personal Care, General Manufacturing Information: Spiro[isobenzofuran-1(3H), 6'-dihydroxy-: ACTIVE.
2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid is a carbon-based organic compound with CAS registry number 15086-94-9 and molecular formula C20H8Br4O5 (molecular weight 647.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 15086-94-9
Its molecular formula C20H8Br4O5 comprises 20 C, 8 H, 4 Br, 5 O atoms.
Also known as: 2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid · 2-(3,6-二羟基-2,4,5,7-四溴氧原-9-基)-苯甲酸
Category: organic chemicals
The CAS registry number of 2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid is 15086-94-9.
Molecular formula C20H8Br4O5, molecular weight 647.9.
It is also registered under: 2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid, 2-(3,6-二羟基-2,4,5,7-四溴氧原-9-基)-苯甲酸.
Recorded applications: Use Classification: Cosmetics -> Hair dyeing, Household Products: Cosmetics product ingredient: Spiro[isobenzofuran-1(3H), 9'-[9H]xanthen]-3-one, 2', 4', 5', 7'-tetrabromo-3', 6'-dihydroxy-(and related compounds) (Red 21, Solvent red 43, Aka223), Reason for Listing: Listed as Persistent, Bioaccumulative, and Inherently Toxic to the environment by the Canadian Environmental Protection Act Environmental Registry Domestic Substances List., Potential Health Impacts: Bioaccumulation Environmental, Persistence, and Undefined Toxicity, Product count: 38, Information on 4 consumer products that contain D & C Red no. 21 in the following categories is provided:, • Personal Care, General Manufacturing Information: Spiro[isobenzofuran-1(3H), 6'-dihydroxy-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid (CAS 15086-94-9), compiled from public chemistry databases.
| CAS Registry Number | 15086-94-9 |
|---|---|
| PubChem CID | 27020 |
| Molecular formula | C20H8Br4O5 |
| IUPAC name | 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| UNII (FDA) | 2730CL9N7C |
| Molecular Weight | 647.9 |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 647.70642 |
| Monoisotopic Mass | 643.71052 |
| Topological Polar Surface Area | 76 |
| Heavy Atom Count | 29 |
| Color Additive Status | 74.1321 |
|---|---|
| Color Additive Status | 74.2321 |
| Color Additive Status | 82.1321 |
15086-94-9; 2',4',5',7'-Tetrabromofluorescein; C.I. Solvent Red 43; DTXSID3044590; C.I. 45380:2; 3,6-Dihydroxy-2,4,5,7-tetrabromospiro(xanthene-9,3'-phthalide); CI 45380:2; NSC-244436; 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one; Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-; DTXCID1024590; 2',4',5',7'-tetrabromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-; 2',4',5',7'-TETRABROMO-3',6'-DIHYDROXY-3H-SPIRO(2-BENZOFURAN-1,9'-XANTHEN)-3-ONE; 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro(2-benzofuran-3,9'-xanthene)-1-one; RefChem:1058590
| Regulatory & Food Contact | FDA Regulatory Status of Color Additives: Drugs, Cosmetics CIR / INCI: Cosmetics ingredient -> Colorant CIR / INCI: Hair dyeing |
|---|---|
| GHS notification summary | 74.5% (123 / 165) |
| GHS notification summary | 74.5% (123 / 165) |
|---|---|
| Reported hazard statements | H302 (24.2%) |
This chemical does not meet GHS hazard criteria for 74.5% (123 of 165) of all reports.
H302 (24.2%): Harmful if swallowed [Warning Acute toxicity, oral]
2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid · CAS 15086-94-9 · C20H8Br4O5. UNII 2730CL9N7C. Color Additive Status: 74.1321; Color Additive Status: 74.2321; Color Additive Status: 82.1321.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.