Basic information
- CAS
59085-15-3- Standard SMILES
O=C(O)CCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]- InChIKey
JCMYUFMDOYGRKD-UHFFFAOYSA-N- Molecular formula
- C10H15NO8
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.07976644
Overview
See also: 4-(2-Carboxyethyl)-4-nitropimelic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-(2-Carboxyethyl)-4-nitroheptanedioic acid
- IUPAC
- 4-(2-carboxyethyl)-4-nitroheptanedioic acid
- English name
- 4-(2-Carboxyethyl)-4-nitro heptanedioic acid
- Molecular formula
- C10H15NO8
- Molecular weight
- 277.23
Names & synonyms
59085-15-34-(2-Carboxyethyl)-4-nitroheptanedioic acid4-(2-Carboxyethyl)-4-nitro heptanedioic acidNitromethanetrispropionic acidMFCD000776844-(2-carboxyethyl)-4-nitro-heptanedioic AcidHeptanedioic acid,4-(2-carboxyethyl)-4-nitro-AKOS003407102AS-40528SY290267[3-(2-carboxyethyl)]-3-nitropentane-1,5-dicarboxylic acidTris(2-carboxyethyl)nitromethane
Show more names
NitrotriacidRARECHEM AL BO 1279LABOTEST-BB LT006457781,1,1-Tris(2-carboxyethyl)nitromethaneHeptanedioic acid, 4-(2-carboxyethyl)-4-nitro-4-(2-Carboxyethyl)-4-nitroheptanedioic acid, 4-(2-Carboxyethyl)-4-nitropimelic acid, Tris(2-carboxyethyl)nitromethane
4-(2-Carboxyethyl)-4-nitropimelic acidFT-0616517SCHEMBL328634C10H15NO8DTXSID70384283Nitromethanetrispropionic acid, 97%SBB058114AC-13225
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 181 · 181-184 °C(lit.)
- Boiling point
- 570.4 · 570.4±50.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.75 · 3.75±0.10(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- BRN
- 1804764 · 1804764
- InChI
- 1S/C10H15NO8/c12-7(13)1-4-10(11(18)19,5-2-8(14)15)6-3-9(16)17/h1-6H2,(H,12,13)(H,14,15)(H,16,17)
- InChIKey
- JCMYUFMDOYGRKD-UHFFFAOYSA-N
- SMILES
- OC(=O)CCC(CCC(O)=O)(CCC(O)=O)[N+]([O-])=O
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- 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.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Nitro-4-(2-Carboxyethyl)pimelic acid is an organic intermediate that can be prepared in two steps from nitromethane and acrylonitrile. Literature reports that 4-nitro-4-(2-Carboxyethyl)pimelic acid can be used to prepare porphyrin dendritic macromolecules and Behera amines. Behera amines can simultaneously link with three equivalents via amide bonds to obtain second- and even third-generation compounds, making them widely used in dendritic polymers.
Upstream & downstream products
Downstream products
Suppliers22 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
上海华默西医药科技有限公司021-+86-021-38228826 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
Related reactions
4 records
Compound notes
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