Basic information
- CAS
2243-80-3- Standard SMILES
O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1- InChIKey
MFYLRNKOXORIPK-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- 3-Nitrobenzophenone
- IUPAC
- (3-nitrophenyl)-phenylmethanone
- English name
- 3-NITROBENZOPHENONE
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
3-Nitrobenzophenone2243-80-3m-NitrobenzophenoneEINECS 218-819-9DTXSID80176959NSC 37083Methanone, (3-nitrophenyl)(phenyl)-RefChem:95029DTXCID9099450218-819-9MFYLRNKOXORIPK-UHFFFAOYSA-N(3-Nitrophenyl)(phenyl)methanone
Show more names
diphenyloneSKL3473-Nitrobenzophenone98%3-Nitrobenzophenone,97%3-Nitrobenzophenone 98%Methanone, (3-nitrophenyl)phenyl-(3-Nitrophenyl)phenyl-methanone, 97+%
(3-nitrophenyl)-phenylmethanone3-nitrophenyl phenyl ketoneMFCD000072573-Nitro-benzophenonNSC37083Maybridge1_001668Methanone,(3-nitrophenyl)phenyl-3-Nitrobenzophe
Database identifiers
- CAS
2243-80-3- PubChem CID
- 75243
- DTXSID
DTXSID80176959- EC Number
- 218-819-9
- Nikkaji
- J96.222H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 368.92 °C · 368.92°C (rough estimate)
- Density
- 1.2422 · 1.2422 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- InChI
- 1S/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H
- InChIKey
- MFYLRNKOXORIPK-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cccc(c1)C(=O)c2ccccc2
- CAS DataBase Reference
- 2243 · 2243-80-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- 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-P305+P351+P338
Chemistry & industry
Applications
Uses3-Nitrobenzophenone was used as starting reagent in the synthesis of ketoprofen, non-steroidal anti inflammatory drug. It was also used as plastic additive and its role in photolytic degradation of polyethylene and polypropylene in solution has been investigated.
Upstream & downstream products
Downstream products
Suppliers42 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
2 records
Compound notes
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