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2-BENZYL-PROPENAL structure

2-BENZYL-PROPENAL

CAS：30457-88-6
MW:146.1858
MF：C10H10O

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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-BENZYL-PROPENAL

1.2 Synonyms: 2-benzylacrylaldehyde; 2-BENZYLPROP-2-ENAL; 2-BENZYL-PROPENAL; Benzenepropanal, α-methylene-; MFCD09032733;

1.3 CAS No.: 30457-88-6

1.4 CID: 10909704

1.5 Molecular Formula: C10H10O

1.6 Inchi: InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8H,1,7H2

1.7 InChkey: DHNSDRAPEVOWJB-UHFFFAOYSA-N

1.8 Canonical Smiles: C=C(CC1=CC=CC=C1)C=O

1.9 Isomers Smiles: C=C(CC1=CC=CC=C1)C=O

2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

3. Synthesis Route

30457-88-6Total: 38 Synthesis Route

104-53-0

104-53-0 75 Suppliers

30457-88-6

30457-88-6 5 Suppliers

607-81-8

607-81-8 84 Suppliers

30457-88-6

30457-88-6 5 Suppliers

4. Precursor and Product

precursor:

51075-22-0

51075-22-0

2612-30-8

2612-30-8

7795-99-5

7795-99-5

66051-11-4

66051-11-4

101-97-3

101-97-3

122-97-4

122-97-4

104-53-0

104-53-0

607-81-8

607-81-8

product:

66948-38-7

66948-38-7

5. Computed Properties

Molecular Weight：146.1858g/mol
Molecular Formula：C₁₀H₁₀O
Compound Is Canonicalized：True
Exact Mass：2.2
XLogP3-AA：146.073164938
Monoisotopic Mass：146.073164938
Complexity：143
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：17.1
Heavy Atom Count：：11
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：AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIwAIAAAACIAihSgAACAAAgAAAIiAEAAMgIIDKAERCAIAAggAAIiIcIiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Toltal 5 Suppliers View more

2-BENZYL-PROPENAL

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

2-benzylacrylaldehyde

Nanjing Chemlin Chemical Co., Ltd.

Tel: Update Time:2024/03/04

inquire

2-BENZYL-PROPENAL

ChemPacific Corporation

Tel: Update Time:2019/11/25

inquire

2-benzylacrylaldehyde

Nanjing Chemlin Chemical Co., Ltd

Tel: Update Time:2019/11/26

inquire

2-BENZYL-PROPENAL

AlliChem, LLC

Tel: Update Time:2022/01/01

inquire

7. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

3. Synthesis Route

4. Precursor and Product

5. Computational chemical data

6. Toltal 5 Suppliers

7. Realated Product Infomation

CAS Products Suppliers

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