Basic information
- CAS
1172-02-7- Standard SMILES
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]- InChIKey
POJAQDYLPYBBPG-UHFFFAOYSA-N- Molecular formula
- C16H5N5O6
- Average molar mass
- 363.24 g/mol
- Monoisotopic mass
- 363.0239829
Names & identifiers
- Preferred name
- (2,4,7-Trinitrofluoren-9-ylidene)malonitrile
- IUPAC
- 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile
- English name
- 9-DICYANOMETHYLENE-2,4,7-TRINITROFLUORENE
- Molecular formula
- C16H5N5O6
- Molecular weight
- 363.24
Names & synonyms
(2,4,7-Trinitrofluoren-9-ylidene)malonitrilePropanedinitrile, 2-(2,4,7-trinitro-9H-fluoren-9-ylidene)-RefChem:3945559-Dicyanomethylene-2,4,7-trinitrofluorene1172-02-72-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrilePropanedinitrile, (2,4,7-trinitro-9H-fluoren-9-ylidene)-CHEMBL831851T16F5401QFluorene-.delta.9,.alpha.-malononitrile, 2,4,7-trinitro-(2,4,7-Trinitrofluorenylidene)malononitrile9-Dicyanomethylene-2,4,7-trinitrofluorenone
Show more names
DTFDTNF9-Dicanomethylene-2,4,7-trinitrofluorene2,4,7-Trinitrofluorenylidenemalononitrile2,4,7-Trinitro-9-fluorenyllidenemalonitrile9-Dicyanomethylene-2,4,7-trinitro-9H-fluorene(2,4,7-TRINITRO-9-FLUORENYLIDENE)MALONONITRILE
EINECS 214-629-5UNII-1T16F5401QCNTNF2,4,7-Trinitro-9-fluorenylidenemalonitrile2-(2,4,7-TRINITRO-9H-FLUOREN-9-YLIDENE)PROPANEDINITRILESCHEMBL1034255(2,4,7-Trinitro-9H-fluoren-9-ylidene)propanedinitrileDTXSID6061577
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 800
Physicochemical properties
- Melting point
- 265 · 265-267°C
- Boiling point
- 494.68 °C · 494.68°C (rough estimate)
- Density
- 1.4228 · 1.4228 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- CAS DataBase Reference
- 1172 · 1172-02-7
- FDA UNII
- 1 T16F5401Q · 1T16F5401Q
- EPA Substance Registry System
- Propanedinitrile, (2,4,7-trinitro-9H-fluoren-9-ylidene)- (1172-02-7)
- Symbol(GHS)
- 1 · GHS01,GHS07
- Signal word
- Danger
- Hazard statements
- 201 · H201-H312-H302-H332
- Precautionary statements
- 210 · P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37
- RIDADR
- 3439 · 3439
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 (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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesExpl. 1.1 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3439
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS01,GHS07
- safety_code
- 22-36/37
- Hazard statements
- H201-H312-H302-H332
- Precautionary statements
- P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedinitrile, 2-(2,4,7-trinitro-9H-fluoren-9-ylidene)-: ACTIVE
Suppliers5 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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