3-Hydroxybenzaldehyde
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Basic information
- CAS
100-83-4- Standard SMILES
O=Cc1cccc(O)c1- InChIKey
IAVREABSGIHHMO-UHFFFAOYSA-N- Molecular formula
- C7H6O2
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.03677943
Overview
3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.
Names & identifiers
- Preferred name
- 3-Hydroxybenzaldehyde
- IUPAC
- 3-hydroxybenzaldehyde
- English name
- 3-Hydroxybenzaldehyde
- Molecular formula
- C7H6O2
- Molecular weight
- 122.12
Names & synonyms
3-hydroxybenzaldehyde100-83-4m-Hydroxybenzaldehydem-FormylphenolBenzaldehyde, 3-hydroxy-3-Formylphenolmeta-HydroxybenzaldehydeBenzaldehyde, m-hydroxy-3-oxidanylbenzaldehydeDTXSID7059220NSC-35048Z2819J40E
Show more names
hydroxybenzaldehydeMHB3-hydroxy-benzaldehydRoxatidine Impurity 33-HydroxybenzaL
CHEBI:16207RefChem:94257DTXCID8032461202-892-93-HYDROXY-BENZALDEHYDEMFCD000033683-hydroxy benzaldehydeNSC 3504
Database identifiers
- CAS
100-83-4- PubChem CID
- 101
- DTXSID
DTXSID7059220- ChEMBL
CHEMBL243816- ChEBI
CHEBI:16207- UNII
- 8Z2819J40E
- EC Number
- 202-892-9
- Nikkaji
- J43.313F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Benzaldehydes
Industrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesInsecticides
LogP1.29
Vapor Pressure0.01 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Collision Cross Section118 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physicochemical properties
- Melting point
- 100 · 100-103 °C(lit.)
- Boiling point
- 191 °C50 · 191 °C50 mm Hg(lit.)
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
This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.
Warning
H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 3-hydroxy-
Status: Active Update: 10-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17191
Benzaldehyde, 3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Hydroxybenzaldehyde and Benzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (90%)
Safety data
- F
- 8-9-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU6450000
- hs_code
- 2912499000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
Use ClassificationInsecticides
General Manufacturing InformationBenzaldehyde, 3-hydroxy-: ACTIVE
Applications
UsesIntermediate for dyes, plastics, pharmaceuticals, and bactericides; color reagent for Schiff’s reagent, sensitizing agent in photographic emulsions.
Uses3-Hydroxybenzaldehyde is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
732 records
Compound notes
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