9H-Carbazole, 1,3,6,8-tetranitro-
Basic information
- CAS
4543-33-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c2c1- InChIKey
JUSWGNJYSBSOFM-UHFFFAOYSA-N- Molecular formula
- C12H5N5O8
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 347.01381213
Names & identifiers
- Preferred name
- 9H-Carbazole, 1,3,6,8-tetranitro-
- IUPAC
- 1,3,6,8-tetranitro-9H-carbazole
- English name
- 1,3,6,8-Tetranitrocarbazole
- Molecular formula
- C12H5N5O8
- Molecular weight
- 347.2
Names & synonyms
1,3,6,8-Tetranitrocarbazole4543-33-31,3,6,8-Tetranitro-9H-carbazole9H-Carbazole, 1,3,6,8-tetranitro-Carbazole, 1,3,6,8-tetranitro-EINECS 224-898-06M5VL5EW3VNSC 151061,3,6,8-Tetranitrokarbazol [Czech]1,3,6,8-TetranitrokarbazolBRN 0363292AI3-14491
Show more names
70.0%(LC)1,3,6,8-tetranitro-9h-carbazol1,3,6,8-Tetranitrocarbazole 9H-Carbazole, 1,3,6,8-tetranitro-(wetted with ca. 40% Water, containing 25g on a dry weight basis)1,3,6,8-Tetranitrocarbazole (wetted with ca. 40% Water, containing 25g1,3,6,8-TETRANITROCARBAZOLE(WETTEDWITHCA.40%WATER,CONTAINING25GONADRYWEIGHTBASIS)
NSC-15106DTXSID10635165-20-08-00056 (Beilstein Handbook Reference)RefChem:549929DTXCID0040414Carbazole, 1,3,6,8-tetranitro-(8CI)224-898-0Nirosan
Database identifiers
- CAS
4543-33-3- PubChem CID
- 72755
- DTXSID
DTXSID1063516- UNII
- 6M5VL5EW3V
- EC Number
- 224-898-0
- Nikkaji
- J235.991J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Melting point
- 291 °C · 291 °C
- Boiling point
- 481.79 °C · 481.79°C (rough estimate)
- Density
- 1.5802 · 1.5802 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- form
- powder to crystal
- pka
- 8.06 · 8.06±0.30(Predicted)
- color
- Light yellow to Brown to Dark green
- FDA UNII
- 6 M5VL5EW3V · 6M5VL5EW3V
- EPA Substance Registry System
- 9 H-Carbazole, · 9H-Carbazole, 1,3,6,8-tetranitro- (4543-33-3)
- Symbol(GHS)
- 1 · GHS01,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H201-H312-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P280-P302+P352-P312-P322-P363-P501
- RIDADR
- 1325 · UN 1325 4.1/PG II
- RTECS
- 6325000 · FE6325000
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H201 (50%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P241, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesExpl. 1.1 (50%)
Safety data
- tsca
- TSCA listed
- rtecs
- FE6325000
- ridadr
- UN 1325 4.1/PG II
- Signal word
- Warning
- Symbol(GHS)
- GHS01,GHS07
- hazard_class
- 4.1
- packing_group
- II
- Hazard statements
- H302-H201-H312-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9H-Carbazole, 1,3,6,8-tetranitro-: ACTIVE
Suppliers
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Compound notes
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