p-(Benzyloxy)nitrobenzene
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Basic information
- CAS
1145-76-2- Standard SMILES
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1- InChIKey
YOVUXLHIVNBVKO-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- p-(Benzyloxy)nitrobenzene
- IUPAC
- 1-nitro-4-phenylmethoxybenzene
- English name
- 1-BENZYLOXY-4-NITROBENZENE
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
Benzyl 4-nitrophenyl etherp-(Benzyloxy)nitrobenzeneEINECS 214-545-9NSC 24667RefChem:857936214-545-91-Benzyloxy-4-nitrobenzene1145-76-21-(Benzyloxy)-4-nitrobenzeneBenzene, 1-nitro-4-(phenylmethoxy)-4-Benzyloxynitrobenzene1-nitro-4-phenylmethoxybenzene
Show more names
AURORA 193744-Nitrophenylbenzyl ether1-Nitro-4-benzyloxybenzene(4-Nitrophenyl)benzyl ether
Benzyl p-nitrophenyl ether4-benzyloxy-1-nitrobenzene1-benzyloxy-4-nitro-benzeneMFCD00024672Ether, benzyl p-nitrophenyl1-nitro-4-(phenylmethoxy)benzeneBBL000322STK260826
Database identifiers
- CAS
1145-76-2- PubChem CID
- 70842
- DTXSID
DTXSID1074462- EC Number
- 214-545-9
- Nikkaji
- J203.402F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 105 to · 105.0 to 109.0 °C
- Boiling point
- 386.2 · 386.2±17.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- λmax
- 294 nm · 294nm(Hexane)(lit.)
- InChI
- InChI=1S/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChIKey
- YOVUXLHIVNBVKO-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=CC=C(OCC2=CC=CC=C2)C=C1
- EPA Substance Registry System
- 1 · Benzene, 1-nitro-4-(phenylmethoxy)- (1145-76-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2909.3 · 2909.30.6000
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2909.30.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
7 records
Compound notes
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