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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 8581Generated: October 23, 2026

C.I. Vat Brown 3

https://huagongshe.com/en/chemical/8581

C.I. Vat Brown 3 molecular structure

Identifiers & Physical Properties

CAS No.131-92-0
Molecular formulaC42H23N3O6
Average molar mass665.6 g/mol
Monoisotopic mass665.15868546 g/mol
SMILESO=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1
InChIKeyAAKMSGQPNUGLAZ-UHFFFAOYSA-N
PubChem CID8581
EC No.205-044-6
DTXSIDDTXSID2026282

Chemical & Physical Properties

XLogP8.1
Topological polar surface area142
Hydrogen bond donors3
Hydrogen bond acceptors6
Rotatable bonds4
Heavy atoms51
Formal charge0
Complexity1,450
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting point356 °F (decomposes) (NTP, 1992)
Physical DescriptionC.i. vat brown 3 is an odorless brown to dark brown powder. (NTP, 1992)Dry Powder

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 78.9% (15 of 19) of all reports.WarningH317 (21.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 19 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatory informationChemical: Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis(benzamide) (EC: 205-044-6)Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire hazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health hazardsSYMPTOMS: Symptoms of exposure to similar compounds include temporary skin reactions (allergic contact dermatitis).
Reactive groupAmides and Imides
Reactivity ProfileC.I. VAT BROWN 3 is incompatible with oxidizing and reducing agents. (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Sens. 1 (21.1%)
Fire fightingFires involving this compound may be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First aidEYES: 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 responseSMALL 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)