Basic information
- CAS
5833-18-1- Standard SMILES
CCOC(=O)C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CMVIALRRHVVWIW-UHFFFAOYSA-N- Molecular formula
- C16H12N4O10
- Average molar mass
- 420.29 g/mol
- Monoisotopic mass
- 420.05534259
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
- IUPAC
- ethyl 2,2-bis(2,4-dinitrophenyl)acetate
- English name
- Bis(2,4-dinitrophenyl)acetic acid ethyl ester
- Molecular formula
- C16H12N4O10
- Molecular weight
- 420.29
Names & synonyms
Ethyl bis(2,4-dinitrophenyl)acetateNSC 8659EINECS 227-415-1Ethyl-bis(2,4-dinitrophenyl)acetateBRN 2493327DTXSID30640173-09-00-03315 (Beilstein Handbook Reference)Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl esterBenzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl esterRefChem:117365DTXCID5042370Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester (9CI)
Show more names
LABOTEST-BB LT004412701EthylBis(2,4-Dinitrophenyl)AcetateETHYL 2,2-DI(2,4-DINITROPHENYL)ACETATEEthyl bis(2,4-dinitrophenyl)acetate,98%Ethyl Bis(2,4-dinitrophenyl)acetate >bis(2,4-dinitrophenyl)-aceticaciethylester
227-415-15833-18-1ethyl 2,2-bis(2,4-dinitrophenyl)acetateBis(2,4-dinitrophenyl)acetic acid ethyl esterMFCD00051351C16H12N4O10NSC8659SCHEMBL546884
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 629.3 · 629.3±55.0 °C(Predicted)
- Density
- 1.556 · 1.556±0.06 g/cm3(Predicted)
- solubility
- Solubility Insoluble in water; soluble in ethanol, acetone
- form
- crystals
- pka
- 8.3 · 8.3(at 25℃)
- color
- Pale yellow
- PH Range
- Colorless (7.5) to deep blue (9.1)
- Major Application
- Imaging materials, microcapsule toner, electrophotographic toner, decoder system, inks, paints, adhesives, identification of organic solvents
- CAS DataBase Reference
- 5833 · 5833-18-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Benzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester (5833-18-1)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
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
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Safety data
- tsca
- TSCA listed
- rtecs
- AF5650000
- ridadr
- 1325
- hs_code
- 2916.39.7900
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester: ACTIVE
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
常熟市海天医药原料有限公司13913622609 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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