Basic information
- CAS
14309-92-3- Standard SMILES
O=[N+]([O-])c1ccc(NCc2ccccc2)cc1- InChIKey
QBSRKOBMKFOHOS-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- N-benzyl-4-nitroaniline
- IUPAC
- N-benzyl-4-nitroaniline
- English name
- N-benzyl-4-nitroaniline
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
N-Benzyl-4-nitroanilineEINECS 238-249-4N-(4-Nitrophenyl)benzenemethanamineBenzenemethanamine, N-(4-nitrophenyl)-RefChem:829179238-249-414309-92-3p-Nitro-N-benzylanilineN-benzyl-N-(4-nitrophenyl)amineMFCD00126504n-benzyl-4-nitrobenzenamineBenzenemethanamine,N-(4-nitrophenyl)-
Show more names
N-(4-Nitrophenyl)benzylaminep-NitrobenzylanilinN-Benzyl-p-nitroaniline4-benzylamino-nitrobenzeneN-benzyl-4-nitro-anilineOprea1_064870Benzyl-(4-nitro-phenyl)-amineE4AD858WL7
Database identifiers
- CAS
14309-92-3- PubChem CID
- 84342
- DTXSID
DTXSID8074522- UNII
- E4AD858WL7
- EC Number
- 238-249-4
- Nikkaji
- J216.957F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Boiling point
- 392 · 392.0±25.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 0.31 · 0.31±0.20(Predicted)
- EPA Substance Registry System
- p-Nitro-N-benzylaniline (14309-92-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers39 total
上海策嵘生物科技有限公司[email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
5 records
Compound notes
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