Basic information
- CAS
620-88-2- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2)cc1- InChIKey
JDTMUJBWSGNMGR-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- 1-Nitro-4-phenoxybenzene
- IUPAC
- 1-nitro-4-phenoxybenzene
- English name
- 4-Nitrophenyl phenyl ether
- Molecular formula
- C12H9NO3
- Molecular weight
- 215.2
Names & synonyms
4-Nitrophenyl phenyl ether1-Nitro-4-phenoxybenzene620-88-24-Nitrodiphenyl etherEther, p-nitrophenyl phenylP-NITRODIPHENYL ETHER4-Nitrobiphenyl ether6SV296C6QIDTXSID3022087RefChem:100117DTXCID402087210-656-1
Show more names
RH-0211NSC 570804-nitrobiphenyletherp-NitrophenoxybenzenePARA-NITRODIPHENYLETHER1-nitro-4-phenoxy-benzen
p-Nitrophenyl phenyl etherBenzene, 1-nitro-4-phenoxy-4-Nitrodifenylether1-Nitro-4-phenoxy-benzeneEther, 4-nitrophenyl phenyl4-phenoxynitrobenzeneNSC 5420MFCD00007320
Database identifiers
- CAS
620-88-2- PubChem CID
- 12110
- DTXSID
DTXSID3022087- ChEMBL
CHEMBL2270114- UNII
- 6SV296C6QI
- EC Number
- 210-656-1
- Nikkaji
- J31.994E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.79
Physicochemical properties
- Melting point
- 53 · 53-56 °C(lit.)
- Boiling point
- 320 °C · 320 °C(lit.)
- Density
- 1.2521 · 1.2521 (rough estimate)
- refractive index
- 1.575 · 1.5750 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- 2 O · Plates from MeOH or Et2O
- InChI
- InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
- InChIKey
- JDTMUJBWSGNMGR-UHFFFAOYSA-N
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
H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (95.1%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KO2680000
- ridadr
- 3077
- hs_code
- 29093090
- Toxicity
- eye-rbt 500 mg/24H MLD 28ZPAK -,118,72
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H320-H411-H319
- Precautionary statements
- P305+P351+P338-P264-P273-P305+P351+P338+P337+P313-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-nitro-4-phenoxy-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
梯希爱(上海)化成工业发展有限公司
Related reactions
12 records
Compound notes
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