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Basic information
- CAS
5458-48-0- Standard SMILES
O=[N+]([O-])c1ccc(C2CCCCC2)cc1- InChIKey
FUVKJYZTELKRRB-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 1-Cyclohexyl-4-nitrobenzene
- IUPAC
- 1-cyclohexyl-4-nitrobenzene
- English name
- 4-Cyclohexyl-1-nitrobenzene 98
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
1-Cyclohexyl-4-nitrobenzene5458-48-04-Cyclohexyl-1-nitrobenzenebenzene, 1-cyclohexyl-4-nitro-6BET7K4YQ7EINECS 226-720-7NSC-23569DTXSID10203005NSC 23569RefChem:75497DTXCID70125496226-720-7
Show more names
1-Nitro-4-cyclohexylbenzenep-Cyclohexyl-1-nitrobenzene4-Cyclohexyl-1-nitrobenzene 98%
1-cyclohexyl-4-nitro-benzeneMFCD001300084-CYCLOHEXYL-1-NITROBENZENE 98p-cyclohexylnitrobenzeneNSC2356928022-31-34-Cyclohexylnit4-Cyclohexylnitrobenzene
Database identifiers
- CAS
5458-48-0- PubChem CID
- 79564
- DTXSID
DTXSID10203005- UNII
- 6BET7K4YQ7
- EC Number
- 226-720-7
- Nikkaji
- J22.018C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 60 · 60-62
- Boiling point
- 343.93 °C · 343.93°C (rough estimate)
- Density
- 1.124 · 1.124
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- solid
- color
- White
- FDA UNII
- 6 BET7K4YQ7 · 6BET7K4YQ7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P310-P302+P350-P302+P352-P304+P340
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2902900000 · 2902900000
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
- hs_code
- 2902900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P310-P302+P350-P302+P352-P304+P340
Chemistry & industry
Suppliers36 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Shanghai Witofly Chemical Co.,Ltd
Related reactions
4 records
Compound notes
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