3D Mol Similar

Quinoline-7-carbaldehyde

: Iupac Name：quinoline-7-carbaldehyde; CAS No.: 49573-30-0; Molecular Weight：157.172; Modify Date.: 2022-11-22 15:58; Introduction:
White powder
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1. Names and Identifiers

: 1.1 Name; Quinoline-7-carbaldehyde; 1.2 Synonyms; 7-FORMYLQUINOLINE 7-Quinolinecarboxaldehyde (6CI,9CI) AKOS AUF01715 AKOS B029383 AKOS BBS-00005340 QUINOLINE-7-CARBALDEHYDE RARECHEM AK ML 0561

1.3 CAS No.: 49573-30-0

1.4 CID: 4712255

1.5 Molecular Formula: C10H7NO (isomer)

1.6 Inchi: InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H

1.7 InChIkey: WINWAFCAQPFBQA-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC2=C(C=C(C=C2)C=O)N=C1

1.9 Isomers Smiles: C1=CC2=C(C=C(C=C2)C=O)N=C1

2. Properties

2.1 Density: 1.223

2.1 Melting point: 87 °C

2.1 Boiling point: 314.3°C at 760 mmHg

2.1 Refractive index: 1.687

2.1 Flash Point: 151.9°C

2.1 Precise Quality: 157.05300

2.1 PSA: 29.96000

2.1 logP: 2.04730

2.1 Appearance: White to Light yellow powder to crystal

2.2 Chemical Properties: White powder Quinoline-7-carbaldehyde Preparation Products And Raw materials Raw materials

2.3 pKa: 3.06±0.14(Predicted)

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Hazard Class: IRRITANT

3.1 Hazard Declaration: H315

3.1 Caution Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

3.1 Safety: HazardClass: IRRITANT

3.2 Specification: Quinoline-7-carbaldehyde , its cas register number is 49573-30-0. It also can be called 7-Quinolinecarboxaldehyde ; 7-Formylquinoline .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

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
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
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.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Other Information

6.0 Mesh Entry Terms: quinoline-7-carboxaldehyde

7. Computational chemical data

Molecular Weight: 157.172g/mol
Molecular Formula: C₁₀H₇NO
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 157.052763847
Monoisotopic Mass: 157.052763847
Complexity: 169
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 30
Heavy Atom Count: 12
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: AAADcYByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAAAAAADAjhngY8wPIIEACoAzx3xACCgCA1AiAI2CE4ZNgIIPLAlZGEIQhggADIyYcciMCOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

8. Recommended Suppliers

Global32SuppliersView all >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

12YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

Quinoline-7-carbaldehyde

Purity:99%Packing: 200kg/bag FOB
Price: 3 USD/kilogram
Time: 2023/09/20

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Nanjing Chemlin Chemical Co., Ltd. Diamond member

12YRS

Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
Tel:86-25-83697070
Email:sales@chemlin.com.cn

quinolin-7-carbaldehyde