Basic information
- CAS
290825-52-4- Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
MBAQGFLNQDHQCE-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO6
- Average molar mass
- 321.21 g/mol
- Monoisotopic mass
- 321.0460217
Names & identifiers
- Preferred name
- 1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
- IUPAC
- dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
- English name
- Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate
- Molecular formula
- C12H10F3NO6
- Molecular weight
- 321.21
Names & synonyms
290825-52-41,3-dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioateDimethyl 2-(2-nitro-4-trifluoromethylphenyl)malonateDimethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonateDimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonateMFCD03617804Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]malonatedimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioatePropanedioic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,3-dimethyl esterDimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]-malonateSCHEMBL997302Dimethyl2-(2-nitro-4-(trifluoromethyl)phenyl)malonate
Show more names
Dimethyl[2-nitro-4-(trifluoromethyl)phenyl]malonate98%Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate 9Dimethyl [2-nitro-4-(trifluoromethyl)phenyl]malonate 98%2-methyl-2-[3-methyl-2-nitro-4-(trifluoromethyl)phenyl]propanedioate290825-52-4 Propanedioic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,3-dimethyl ester
DTXSID90377016AKOS005069795CS-0197120EN300-42581A510641W-0027F237319dimethyl 2-(2-nitro4-trifluoromethylphenyl)malonate
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 57 · 57-58°
- storage temp.
- Sealed in dry,Room Temperature
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2917198090 · 2917198090
Safety & regulation
Safety data
- hs_code
- 2917198090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesDimethyl 2-(2-nitro-4-trifluoromethylphenyl)malonate
Upstream & downstream products
Downstream products
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
武汉赢元贝商贸有限公司
Related reactions
8 records
Compound notes
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