Basic information
- CAS
4958-56-9- Standard SMILES
CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1- InChIKey
KIWZKBUUWJTGPP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479224
Names & identifiers
- Preferred name
- 2-Methylamino-5-nitrobenzophenone
- IUPAC
- [2-(methylamino)-5-nitrophenyl]-phenylmethanone
- English name
- 2-METHYLAMINO-5-NITROBENZOPHENONE
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
2-Methylamino-5-nitrobenzophenoneEINECS 225-601-7RefChem:475946225-601-74958-56-9[2-(methylamino)-5-nitrophenyl]-phenylmethanone(2-Methylamino-5-nitrophenyl)phenylmethanone[2-(Methylamino)-5-nitrophenyl](phenyl)methanoneMethanone, [2-(methylamino)-5-nitrophenyl]phenyl-2-(Methylamino)-5-nitrobenzophenone(2-METHYLAMINO-5-NITRO-PHENYL)-PHENYL-METHANONE2-Methylaminomethyl-5-nitrobenzophenone
Show more names
(2-(Methylamino)-5-nitrophenyl)(phenyl)methanone2-BENZOYL-N-METHYL-4-NITROANILINESCHEMBL8578400DTXSID709642812-methylamino-5-nitro-benzo-phenoneMFCD00007258AKOS024330667Benzophenone, 2-methylamino-5-nitro-
Database identifiers
- CAS
4958-56-9- PubChem CID
- 78661
- DTXSID
DTXSID70964281- EC Number
- 225-601-7
- Nikkaji
- J150.090B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 164 · 164 - 167°C
- Boiling point
- 471 · 471.0±40.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, Inert atmosphere
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- -1.21 · -1.21±0.12(Predicted)
- color
- Light Yellow to Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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