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2-bromoheptanal structure

2-bromoheptanal

CAS：16486-84-3
MW:193.08
MF：C7H13BrO

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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-bromoheptanal

1.2 Synonyms: 2-Brom-heptanal; 2-Brom-oenanthol; 2-bromoheptaldehyde; 2-bromoheptanal; 2-bromo-heptanal; bromoheptanal; CTK0E5843; DTXSID70448031; Enanthaldehyde, a-bromo-; Heptanal, 2-bromo-; Heptanal,2-bromo; MFCD17013484;

1.3 CAS No.: 16486-84-3

1.4 CID: 10910384

1.5 Molecular Formula: C7H13BrO

1.6 Inchi: InChI=1S/C7H13BrO/c1-2-3-4-5-7(8)6-9/h6-7H,2-5H2,1H3

1.7 InChkey: ZEPXAFZTJPAGHT-UHFFFAOYSA-N

1.8 Canonical Smiles: CCCCCC(C=O)Br

1.9 Isomers Smiles: CCCCCC(C=O)Br

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

16486-84-3Total: 11 Synthesis Route

111-71-7

111-71-7 12 Suppliers

16486-84-3

16486-84-3 1 Suppliers

628-71-7

628-71-7 45 Suppliers

16486-84-3

16486-84-3 1 Suppliers

4. Precursor and Product

precursor:

18207-18-6

18207-18-6

14925-39-4

14925-39-4

33261-33-5

33261-33-5

17510-50-8

17510-50-8

62427-72-9

62427-72-9

10032-05-0

10032-05-0

42298-83-9

42298-83-9

111-71-7

111-71-7

106-98-9

106-98-9

628-71-7

628-71-7

product:

628-44-4

628-44-4

111-13-7

111-13-7

86835-45-2

86835-45-2

22031-56-7

22031-56-7

7472-26-6

7472-26-6

959-21-7

959-21-7

18829-55-5

18829-55-5

16993-86-5

16993-86-5

593-55-5

593-55-5

2624-01-3

2624-01-3

5. Computed Properties

Molecular Weight：193.08g/mol
Molecular Formula：C₇H₁₃BrO
Compound Is Canonicalized：True
Exact Mass：2.9
XLogP3-AA：192.01498
Monoisotopic Mass：192.01498
Complexity：73.3
Rotatable Bond Count：5
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：17.1
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgIAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBAAAAByACggAICAAAAAAAIAAgQgAAAAAAAAAAAAAEAACAgABIAAAAAAAAAAAAAAAEIiACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Toltal 1 Suppliers View more

Enanthaldehyde, a-bromo-

Hangzhou J&H Chemical Co., Ltd

Tel: Update Time:2017/12/14

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 1 Suppliers

7. Realated Product Infomation

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