6-Methoxynicotinaldehyde

Iupac Name：6-methoxypyridine-3-carbaldehyde

Molecular Weight：137.138

Modify Date.: 2022-11-22 16:51

Introduction: An intermediate for the synthesis of the somatostatic sst3 receptor. 6-Methoxynicotinaldehyde Preparation Products And Raw materials Raw materials View more+

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1. Names and Identifiers

1.1 Name: 6-Methoxynicotinaldehyde
1.2 Synonyms: 2-METHOXYPYRIDINE-5-CARBOXALDEHYDE 3-FORMYL-6-METHOXYPYRIDINE 3-Pyridinecarboxaldehyde, 6-methoxy- 3-Pyridinecarboxaldehyde, 6-methoxy- (9CI) 5-FORMYL-2-METHOXYPYRIDINE 6-METHOXY-3-NICOTINALDEHYDE 6-METHOXY-3-PYRIDINECARBOXALDEHYDE 6-METHOXYNICOTINALDEHYDE 6-Methoxypyridin-3-carboxaldehyde 6-METHOXY-PYRIDINE-3-CARBALDEHYDE

1.3 CAS No.: 65873-72-5

1.4 CID: 3364576

1.5 EINECS(EC#): 2017-001-1

1.6 Molecular Formula: C7H7NO2 (isomer)

1.7 Inchi: InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3

1.8 InChIkey: CTAIEPPAOULMFY-UHFFFAOYSA-N

1.9 Canonical Smiles: COC1=NC=C(C=C1)C=O

1.10 Isomers Smiles: COC1=NC=C(C=C1)C=O

2. Properties

2.1 Density: 1.159

2.1 Melting point: 46-54℃

2.1 Boiling point: 244.2 °C at 760 mmHg

2.1 Refractive index: 1.551

2.1 Flash Point: 101.5 °C

2.1 Precise Quality: 137.04800

2.1 PSA: 39.19000

2.1 logP: 0.90270

2.1 Appearance: Off-white to light yellow Crystalline Powder

2.2 Storage: Air Sensitive. Ambient temperatures.

2.3 Chemical Properties: off-white to light yellow crystalline powder

2.4 Color/Form: Pale-yellow to Yellow-brown Liquid

2.5 pKa: 1.60±0.10(Predicted)

2.6 Water Solubility: insoluble

3. Use and Manufacturing

3.1 Usage: An intermediate for the synthesis of the somatostatic sst3 receptor. 6-Methoxynicotinaldehyde Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S36

4.1 Hazard Class: IRRITANT

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

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. 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. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

65873-72-5Total: 14 Synthesis Route

59-67-6 655 Suppliers

65873-72-5 116 Suppliers

Literatures:
Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 283 - 287
Yield: null

624-28-2 391 Suppliers

65873-72-5 116 Suppliers

Literatures:
Journal of the American Chemical Society, , vol. 119, # 33 p. 7694 - 7701
Yield: null

1628-89-3 163 Suppliers

65873-72-5 116 Suppliers

Literatures:
Synthesis, , vol. 44, # 5 p. 735 - 746
Yield: null

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7. Precursor and Product

precursor:

68-12-2

26218-80-4

7757-82-6

121643-49-0

624-28-2

95652-83-8

563-41-7

13472-85-0

15871-85-9

58584-63-7

59-67-6

3099-50-1

1628-89-3

View all

product :

132865-44-2

65873-73-6

58584-63-7

72637-18-4

101990-70-9

66572-55-2

106984-91-2

123506-67-2

646518-44-7

123506-66-1

646518-45-8

8. Computational chemical data

Molecular Weight: 137.138g/mol
Molecular Formula: C₇H₇NO₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 137.047678466
Monoisotopic Mass: 137.047678466
Complexity: 116
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 39.2
Heavy Atom Count: 10
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: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAADADhmgY+hJIIFACoAjh3xACCiCA1IiAI2CE+bNgMJvrEtZuEMahkwBHI6caYFQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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