Research chemical

N-Phenylhydroxylamine

CAS Number: 100-65-2

Product details

Identity & specification

Molecular formula: C6H7NO
Molecular weight: 109.13 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

7518

Exact Mass

109.052764

InChIKey

CKRZKMFTZCFYGB-UHFFFAOYSA-N

SMILES String

C1=CC=C(C=C1)NO

Physical Properties

Appearance

N-phenylhydroxylamine appears as tan to brown crystals. (NTP, 1992)

Melting Point

82–83.89 °C

Water Solubility

1.99e+3 mol/L

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Vapor Pressure

Estimated value, unit not specified

XLogP

0.8

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

32.26 Å²

Computed LogP

1.49

Fragment-like structure rule

Yes

Lead-like structure rule

Drug-like structure rule

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

N-Phenylhydroxylamine (CAS 100-65-2) is listed in the Advanced Chemicals portfolio, with molecular formula C6H7NO and molecular weight 109. 13 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Danger; hazard codes: H301; For research use only.

Applications & Classification

Organic Building Blocks Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: Sulfotransferase 1A1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Sulfotransferase 1A1

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

Reactivity and stability.

Disposal

Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional organization with a waste disposal license to handle this substance.

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Accidental Release

Use personal protective equipment.
Avoid dust generation.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

PhenylhydroxylamineN-HydroxyanilineN-HydroxybenzenaminePhenylhydroxyamineHydroxylaminobenzene

Show all synonyms

Aniline, N-hydroxy-Hydroxylamine, N-phenyl-Benzene, hydroxylamino-(Hydroxyamino)benzenebeta-PhenylhydroxylamineBenzenamine, N-hydroxy-N-hydroxylanilineHYDROXYAMINOBENZENEN-Phenyl-hydroxylamine.beta.-PhenylhydroxylamineCCRIS 5062HSDB 2884phenylhydroxylaminphenyl hydroxyaminephenyl hydroxylamine

External Identifiers

EC NUMBER: 202-875-6DSSTOX SUBSTANCE ID: DTXSID3025889CHEMBL ID: CHEMBL320474CHEBI ID: CHEBI:28902UNII: 282MU82Z9AKEGG ID: C02720METABOLOMICS WORKBENCH ID: 51885WIKIDATA ID: Q3048694

Experimental Spectrum References

13C NMR Spectra 1D NMR Spectra

Literature & Patent References

DOI 10.1016/j.ejmech.2015.12.028O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1.PMID 26717206O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1.DOI 10.1021/jm010481cComparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.PMID 12459019Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.DOI 10.1016/s0960-894x(99)00539-9The inhibition of human cytomegalovirus (hCMV) protease by hydroxylamine derivatives.PMID 10560740The inhibition of human cytomegalovirus (hCMV) protease by hydroxylamine derivatives.

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H301

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P301+P310

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement notes

Sourcing context and documentation notes

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Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 100-65-2 in stock?

N-Phenylhydroxylamine is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 100-65-2?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.