3-Hydroxybenzaldehyde
- Iupac Name：3-hydroxybenzaldehyde
- CAS No.: 100-83-4
- Molecular Weight：122.12134
- Modify Date.: 2022-11-10 15:30
- Introduction: Off-White SolidChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.
View more+
1. Names and Identifiers
- 1.1 Name
- 3-Hydroxybenzaldehyde
- 1.2 Synonyms
3-FORMYLPHENOL 3-hydroxy-benzaldehyd 3-hydroxy-benzaldehyde 3-monohydroxybenzaldehyde Benzaldehyde, 3-hydroxy- Benzaldehyde, m-hydroxy- benzaldehyde-3 OH EINECS 202-892-9 hydroxybenzaldehyde HYDROXYBENZALDEHYDE-3 m-Aldehydophenol META-HYDROXY BENZALDEHYDE meta-hydroxybenzaldehyde MFCD00003368 m-Formylphenol MHB m-hydroxy-benzaldehyd m-Hydroxybenzaldehyde Roxatidine Impurity 3
- 1.3 CAS No.
- 100-83-4
- 1.4 CID
- 101
- 1.5 EINECS(EC#)
- 202-892-9
- 1.6 Molecular Formula
- C7H6O2 (isomer)
- 1.7 Inchi
- InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
- 1.8 InChkey
- IAVREABSGIHHMO-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC(=CC(=C1)O)C=O
- 1.10 Isomers Smiles
- C1=CC(=CC(=C1)O)C=O
2. Properties
- 2.1 Density
- 1.226 g/cm 3
- 2.1 Melting point
- 101-105℃
- 2.1 Boiling point
- 191℃ (50 mmHg)
- 2.1 Refractive index
- 1.533
- 2.1 Flash Point
- 191oC/50mm
- 2.1 Precise Quality
- 122.03700
- 2.1 PSA
- 37.30000
- 2.1 logP
- 1.20470
- 2.1 Solubility
- Soluble in DMSO and Methanol
- 2.2 Appearance
- Slightly brown crystalline powder.
- 2.3 Storage
- Air Sensitive. Store under Argon. Ambient temperatures.
- 2.4 Chemical Properties
- Off-White Solid
- 2.5 Color/Form
- faintly yellow to light brown
- 2.6 HenrysLawConstant
- 2.50e-09 atm-m3/mole
- 2.7 PH
- 3-4 (H2O, 20℃)(saturated solution)
- 2.8 pKa
- 8.98(at 25℃)
- 2.9 Water Solubility
- SOLUBLE
- 2.10 Stability
- Stable at room temperature in closed containers under normal storage and handling conditions.
- 2.11 StorageTemp
- Inert atmosphere,2-8°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.
- 3.2 Purification Methods
- Crystallise the aldehyde from water. [Beilstein 8 H 58, 8 IV 240.] 3-Hydroxybenzaldehyde Preparation Products And Raw materials Raw materials
4. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S24/25
- 4.1 Hazard Declaration
- H315-H319-H335
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P261-P305 + P351 + P338
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- CU6450000
- 4.1 Safety
- Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
WGK Germany:3
HS Code:29124900
- 4.2 Sensitive
- Air Sensitive
- 4.3 Specification
-
Off-White Solid
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Eye irritation, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H319 Causes serious eye irritation H412 Harmful to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
100-83-4Total: 8 Synthesis Route
8. Other Information
- 8.0 Usage
- 3-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.
- 8.1 BRN
- 507099
- 8.2 Chemical Properties
- Off-White Solid
- 8.3 Uses
- Intermediate for dyes, plastics, pharmaceuticals, and bactericides; color reagent for Schiff’s reagent, sensitizing agent in photographic emulsions.
- 8.4 Definition
- ChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.
- 8.5 Hazard
- Toxic by ingestion.
- 8.6 Purification Methods
- Crystallise the aldehyde from water. [Beilstein 8 H 58, 8 IV 240.]
9. Computational chemical data
- Molecular Weight: 122.12134g/mol
- Molecular Formula: C7H6O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 122.036779430
- Monoisotopic Mass: 122.036779430
- Complexity: 101
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 37.3
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwBoAAAgCIAihSgAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeKyBCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==
10. Recommended Suppliers
-
- Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
- Tel:00-86-18034554576
- Email:Ella@hbzebo.com
-
- Products:Top quality and high purity with safe transportation and low price
- Tel:+86131-10924135-13110924135
- Email:Cici@xmwonderfulbio.com
-
- Products:Cosmetic Raw Materials,solvents,etc.
- Tel:86-311-66562153
- Email:breeduan@crovellbio.com
-
- Products:PMK ethyl glycidate,28578-16-7 ,bmk,5449-12-7,71368-80-4,bromazolam
- Tel:0371-60331257-+86
- Email:henan2@yuanlongbio.com
-
- Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
- Tel:86-173-54350817
- Email:Ryan@jiutian-bio.com
11. Realated Product Infomation
skype
-121YR
