Basic information
- CAS
5465-13-4- Standard SMILES
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1[N+](=O)[O-]- InChIKey
AEPQXGFMAZTUEA-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 1,2,4,5-Tetramethyl-3,6-dinitrobenzene
- IUPAC
- 1,2,4,5-tetramethyl-3,6-dinitrobenzene
- English name
- Dinitrodurene
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
5465-13-41,2,4,5-Tetramethyl-3,6-dinitrobenzeneEINECS 226-766-8DTXSID10203106NSC 289843,6-dinitrodureneRefChem:71471DTXCID70125597226-766-8DinitrodureneMFCD000071641,4-Dinitro-2,3,5,6-tetramethylbenzene
Show more names
DINITRODUROLDinitrobuteneDinitrodurene>DinitrotrodureneDinitrodurene,97%1,4-DinitrodureneGlycerol Impurity 73Dinitro mesitylene (dinitro duene)2,3,5,6-TETRAMETHYL-P-DINITROBENZENE
1,2,4,5-tetramethyl-3,6-dinitro-benzene3,2,4,5-tetramethylbenzeneNSC289843,6-Dinitro-1,2,4,5-tetramethylbenzeneSCHEMBL7592620AEPQXGFMAZTUEA-UHFFFAOYSA-NNSC-28984SBB068857
Database identifiers
- CAS
5465-13-4- PubChem CID
- 79593
- DTXSID
DTXSID10203106- EC Number
- 226-766-8
- Nikkaji
- J208.392B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 365.61 °C · 365.61°C (rough estimate)
- Density
- 1.2995 · 1.2995 (rough estimate)
- refractive index
- 1.662 · 1.6620 (estimate)
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 5465 · 5465-13-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302+H312+H332-H315
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2904200090 · 2904200090
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2904200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302+H312+H332-H315
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers39 total
河北凡博医药科技有限公司15588346797 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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