Basic information
- CAS
622-33-3- Standard SMILES
NOCc1ccccc1- InChIKey
XYEOALKITRFCJJ-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- O-Benzylhydroxylamine
- IUPAC
- O-benzylhydroxylamine
- English name
- O-Benzylhydroxylamine
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
O-Benzylhydroxylamine622-33-3BenzyloxyamineHydroxylamine, o-(phenylmethyl)-O-(Phenylmethyl)hydroxylamineN3HX4J7ZPMDTXSID8073213RefChem:167149DTXCID5043263612-969-2O-benzyl-hydroxylamineMFCD00221709
Show more names
BENZYLOXYAMINE HYDROCHLORIDEO-BENZYLHYDROXYLAMINE HCLSnr 1635AKOS B022277AURORA KA-7528AURORA KA-2549O-BenzyloxyamineBENZYLOXYAMINE HCL
Hydroxylamine, O-benzyl-[(Aminooxy)methyl]benzeneoxybenzylamineCHEMBL443652(Benzyloxy)aminebenzyloxylamineO-benzyloxylaminephenylmethoxyamine
Database identifiers
- CAS
622-33-3- PubChem CID
- 102313
- DTXSID
DTXSID8073213- ChEMBL
CHEMBL443652- UNII
- N3HX4J7ZPM
- EC Number
- 612-969-2
- Nikkaji
- J45.679I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69
Experimental & physicochemical properties
Physical DescriptionColorless to pale yellow liquid; [MSDSonline]
Physicochemical properties
- Melting point
- 238 °C · 238 °C (subl.)(lit.)
- Boiling point
- 110 · 110-112 °C (20 mmHg)
- Density
- 1 · 1,058 g/cm3
- vapor pressure
- 2.09 hPa · 2.09 hPa (58 °C)
- refractive index
- 1.541 · 1.5410
- Flash point
- 118 · 118-119°C/30mm
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in dimethylsulfoxide and methanol.
- pka
- 4.7 · 4.70±0.70(Predicted)
- form
- Liquid
- color
- Clear colorless
- PH
- 8 · 8 (47g/l, H2O)
- BRN
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
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Skin Corr. 1B (13.3%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (88.9%)
Safety data
- F
- 3
- wgk
- 3
- rtecs
- NC3040000
- ridadr
- 2735
- hs_code
- 2928 00 90
Chemistry & industry
Applications
UsesO-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.
Preparation methods
PreparationThe free base O-benzylhydroxylamine, a liquid of bp 115-119 °C/30 mmHg, is easily prepared from the commercially available hydrochloride salt. For many reactions, however, it is preferable to generate the free base in situ from the salt.
Upstream & downstream products
Downstream products
Suppliers91 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
321 records
Compound notes
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