2-Thiophenamine, 3,5-dinitro-
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Basic information
- CAS
2045-70-7- Standard SMILES
Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DZRZHFOFVWAKGT-UHFFFAOYSA-N- Molecular formula
- C4H3N3O4S
- Average molar mass
- 189.15 g/mol
- Monoisotopic mass
- 188.98442658
Names & identifiers
- Preferred name
- 2-Thiophenamine, 3,5-dinitro-
- IUPAC
- 3,5-dinitrothiophen-2-amine
- English name
- 2-Amino-3,5-dinitrothiophene
- Molecular formula
- C4H3N3O4S
- Molecular weight
- 189.15
Names & synonyms
2-Amino-3,5-dinitrothiophene2045-70-72-Thiophenamine, 3,5-dinitro-2,5-Dinitrothiophen-2-amineEINECS 218-065-0DTXSID1062128RefChem:483753DTXCID4036302218-065-03,5-dinitrothiophen-2-amine3,5-dinitro-2-thienylamineMFCD00100126
Show more names
ADNT2-Amino-3,5-dinitrot3,5-dinitro-2-thiophenamin3,5-Dinitro-2-thiophenamine3,5-Dinitro-2-aminothiophene2-Amino-3,5-dinitrothiophene,97%
C4H3N3O4SBIDD:GT0433SCHEMBL217092Thiophene, 2-amino-3,5-dinitro-2-Amino-3,5-dinitrothiophene, 95%AKOS005081588AC-11329DB-045230
Database identifiers
- CAS
2045-70-7- PubChem CID
- 74895
- DTXSID
DTXSID1062128- EC Number
- 218-065-0
- Nikkaji
- J298.665E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 174 · 174-176 °C(lit.)
- Boiling point
- 422 · 422.0±40.0 °C(Predicted)
- Density
- 1.715 · 1.715 (estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- pka
- -5.08 · -5.08±0.10(Predicted)
- InChI
- 1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2
- InChIKey
- DZRZHFOFVWAKGT-UHFFFAOYSA-N
- SMILES
- Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS DataBase Reference
- 2045 · 2045-70-7(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Thiophenamine, 3,5-dinitro- (2045-70-7)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2934999090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiophenamine, 3,5-dinitro-: ACTIVE
Applications
Uses2-Amino-3,5-dinitrothiophene is used in preparation of high-dye-uptake-rate disperse dye compound for hydrophobic fiber and fabric dyeing.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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