Basic information
- CAS
16397-70-9- Standard SMILES
CCCCC(CC)COC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
NPSJHQMIVNJLNN-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Overview
See also: p-Nitrobenzoic acid-2-ethylhexylester (annotation moved to).
Names & identifiers
- Preferred name
- Benzoic acid, 4-nitro-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 4-nitrobenzoate
- English name
- 4-Nitro benzoic acid 2-ethyl-hexyl ester
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
Benzoic acid, 4-nitro-, 2-ethylhexyl esterRefChem:5660362-Ethylhexyl 4-nitrobenzoate16397-70-9MFCD090306312-Ethylhexyl-4-nitrobenzoate2-Ethylhexyl p-Nitrobenzoate; 4-Nitro-benzoic Acid 2-Ethylhexyl Esterstarbld00269494-nitro benzoic acid 2-ethyl-hexyl esterEC 605-350-3SCHEMBL15005632-Ethylhexyl 4-nitrobenzoate #
Show more names
CHEMBL5267658DTXSID80343664AKOS0159641154-Nitrobenzoic acid, 2-ethylhexyl esterAS-91940DA-262164-Nitro-Benzoic Acid 2-Ethyl-Hexyl EsterNS00001881
Database identifiers
- CAS
16397-70-9- PubChem CID
- 591313
- DTXSID
DTXSID80343664- ChEMBL
CHEMBL5267658
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 390.6 · 390.6±25.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Light Yellow
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
- REACH Registrations
- Active
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
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H341
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
Uses2-Ethylhexyl 4-Nitrobenzoate is an intermediate in the synthesis of 2-Ethylhexyl-4-aminobenzoate (E918745) which is an impurity in the synthesis of Ethylhexyl Triazone (E918810), used in sunscreen formulations as a UV filter to block out harmful ultraviolet light.
Upstream & downstream products
Downstream products
Suppliers41 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
5 records
Compound notes
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