Basic information
- CAS
334952-07-7- Standard SMILES
COC(=O)Cc1ccc(C(=O)OC)cc1[N+](=O)[O-]- InChIKey
DCDSLKRPXTVJSA-UHFFFAOYSA-N- Molecular formula
- C11H11NO6
- Average molar mass
- 253.21 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate
- IUPAC
- methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate
- English name
- Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate
- Molecular formula
- C11H11NO6
- Molecular weight
- 253.21
Names & synonyms
334952-07-7methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoateRefChem:815897812-559-54-(Methoxycarbonyl)-2-nitrobenzeneacetic acid methyl esterMETHYL 4-METHOXYCARBONYLMETHYL-3-NITROBENZOATE142386-70-7MFCD18207133Methyl 2-(4-methoxycarbonyl-2-nitrophenyl)acetateBenzeneacetic acid, 4-(methoxycarbonyl)-2-nitro-, methyl esterMethyl4-(2-methoxy-2-oxoethyl)-3-nitrobenzoateSCHEMBL1359984
Show more names
100155Methyl 4-(methoxycarbonyl)-2-nitrobenzeneacetate
4-methoxycarbonylmethyl-3-nitrobenzoic acid methyl esterDCDSLKRPXTVJSA-UHFFFAOYSA-NAKOS016000410AC-25040AS-30106DA-17157Methyl 4-methoxycarbonylmethyl-3-nitro-benzoateF215381
Database identifiers
- CAS
334952-07-7- PubChem CID
- 22567524
- EC Number
- 812-559-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 77 ℃ · 77℃
- Boiling point
- 370 ℃ · 370℃
- Density
- 1.318 · 1.318
- Flash point
- 163 ℃ · 163℃
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
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]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
上海赢瑞生物医药科技有限公司21-33585366 13311639313 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Related reactions
1 records
Compound notes
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