Basic information
- CAS
175278-46-3- Standard SMILES
O=Cc1cc([N+](=O)[O-])ccc1SC1CCCCC1- InChIKey
KKPVOEAECFNQNB-UHFFFAOYSA-N- Molecular formula
- C13H15NO3S
- Average molar mass
- 265.33 g/mol
- Monoisotopic mass
- 265.07726451
Names & identifiers
- Preferred name
- 2-(Cyclohexylthio)-5-nitrobenzaldehyde
- IUPAC
- 2-cyclohexylsulfanyl-5-nitrobenzaldehyde
- English name
- 2-(CYCLOHEXYLTHIO)-5-NITROBENZALDEHYDE
- Molecular formula
- C13H15NO3S
- Molecular weight
- 265.33
Names & synonyms
175278-46-32-(Cyclohexylthio)-5-nitrobenzaldehyde2-cyclohexylthio-5-nitrobenzaldehyde2-(Cyclohexylsulfanyl)-5-nitrobenzenecarbaldehyde2-(cyclohexylsulfanyl)-5-nitrobenzaldehyde2-cyclohexylsulfanyl-5-nitrobenzaldehydeBenzaldehyde, 2-(cyclohexylthio)-5-nitro-MFCD00084990SCHEMBL6926453DTXSID00384291JS-009CSBB002347
Show more names
TIMTEC-BB SBB002347
AKOS0050730902-cyclohexylsulfanyl-5-nitro-benzaldehydeDB-044210ST51043336G64248
Database identifiers
- CAS
175278-46-3- PubChem CID
- 2801622
- DTXSID
DTXSID00384291
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 416.2 · 416.2±40.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- form
- crystalline powder
- color
- Light yellow
- CAS DataBase Reference
- 175278 · 175278-46-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2913000090 · 2913000090
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
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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