Basic information
- CAS
2585-24-2- Standard SMILES
CCCNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
MDRVSZJDSUDYGP-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479224
Names & identifiers
- Preferred name
- 4-Nitro-N-propylbenzamide
- IUPAC
- 4-nitro-N-propylbenzamide
- English name
- 4-NITRO-N-PROPYLBENZAMIDE
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
4-Nitro-N-propylbenzamide2585-24-2DTXSID30310881RefChem:295049DTXCID202620074-nitro-N-propyl-benzamideMFCD00024716(4-nitrophenyl)-N-propylcarboxamideNSC233914N-n-propyl4-nitrobenzamideOprea1_546880Benzamide, p-nitro-N-propyl-
Show more names
BUTTPARK 74\02-32TIMTEC-BB SBB009979Benzamide, 4-nitro-N-propyl-4-Nitro-N-n-propylbenzaMide, 97%
SCHEMBL3704980SCHEMBL6268978SCHEMBL104893884-Nitro-N-propylbenzamide, 98%MDRVSZJDSUDYGP-UHFFFAOYSA-NNSC406848SBB009979STL259783
Database identifiers
- CAS
2585-24-2- PubChem CID
- 314664
- DTXSID
DTXSID30310881- Nikkaji
- J582.293I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 100 · 100-103 °C (dec.) (lit.)
- Boiling point
- 395.8 · 395.8±25.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 13 · 13+-.0.46(Predicted)
- InChI
- 1S/C10H12N2O3/c1-2-7-11-10(13)8-3-5-9(6-4-8)12(14)15/h3-6H,2,7H2,1H3,(H,11,13)
- InChIKey
- MDRVSZJDSUDYGP-UHFFFAOYSA-N
- SMILES
- CCCNC(=O)c1ccc(cc1)[N+]([O-])=O
- 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-P302+P352-P305+P351+P338-P321-P405-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501
Chemistry & industry
Applications
Uses4-Nitro-N-propylbenzamide may be used in the synthesis of 4-amino-N-substituted amines by catalytic hydrogenation.
General Description4-Nitro-N-propylbenzamide ((4-nitrophenyl)-N-propylcarboxamide) is a benzamide derivative. It can be synthesized by the reaction of 4-nitrobenzoyl chloride and amine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers10 total
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
6 records
Compound notes
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