Tatb

HCID 18286CAS 3058-38-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1c([N+](=O)[O-])c(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-]
InChIKey: JDFUJAMTCCQARF-UHFFFAOYSA-N
Molecular formula: C6H6N6O6
Average molar mass: 258.15 g/mol
Monoisotopic mass: 258.03488191

Overview

structure in first source

Names & identifiers

Preferred name: Tatb
IUPAC: 2,4,6-trinitrobenzene-1,3,5-triamine
English name: 2,4,6-trinitrobenzene-1,3,5-triamine
Molecular formula: C6H6N6O6
Molecular weight: 258.15

Names & synonyms

TATB3058-38-6sym-Triaminotrinitrobenzene1,3,5-Triamino-2,4,6-trinitrobenzene1,3,5-Benzenetriamine, 2,4,6-trinitro-TATB cpdCJP3UNX7Z7NSC-2431562,4,6-triamino-1,3,5-trinitrobenzeneDTXSID8062818RefChem:412488DTXCID9038216

Show more names

EDC 35RX 03GO1,3,5-Trinitro-2,4,6-triaminobenzene

221-297-5s-Triaminotrinitrobenzene2,4,6-Trinitrobenzene-1,3,5-triamine2,4,6-TRINITRO-1,3,5-BENZENETRIAMINENSC 243156EINECS 221-297-5UNII-CJP3UNX7Z7BRN 2225411

Database identifiers

CAS: 3058-38-6
PubChem CID: 18286
DTXSID: DTXSID8062818
UNII: CJP3UNX7Z7
EC Number: 221-297-5
Nikkaji: J205.367E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 216 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 297

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Explosives

SpringerMaterials PropertiesBoiling point

Physical DescriptionOther Solid

Physicochemical properties

Melting point: 324 °C · 324 °C (decomp)
Boiling point: 669.5 · 669.5±50.0 °C(Predicted)
Density: 1.93 g/cm3 · 1.93 g/cm3
storage temp.: Refrigerator, under inert atmosphere
form: Solid
pka: -5.8 · -5.80±0.10(Predicted)
color: Light Yellow to Yellow
FDA UNII: 3 UNX7Z7 · CJP3UNX7Z7
EPA Substance Registry System: 1 · 1,3,5-Benzenetriamine, 2,4,6-trinitro- (3058-38-6)
Symbol(GHS): 1 · GHS01
Signal word: Danger
Hazard statements: 201 · H201
Precautionary statements: 210 · P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501
RIDADR: 81 · 0081
TSCA: TSCA listed
HazardClass: 1.1 D · 1.1D
PackingGroup: II
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]

P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

1,3,5-Benzenetriamine, 2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Benzenetriamine, 2,4,6-trinitro- 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)

Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26124

Hazard Classes and CategoriesExpl. 1.1 (100%)

Toxicology

Toxicity DataLC50 (rat) > 212 mg/m3/1H

Safety data

tsca: TSCA listed
ridadr: 0081
Signal word: Danger
Symbol(GHS): GHS01
hazard_class: 1.1D
packing_group: II
Hazard statements: H201
REACH Registrations: Active
Precautionary statements: P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501