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Chemistry

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Also known as: 120578-03-2, (e)-3-(2-(7-chloroquinolin-2-yl)vinyl)benzaldehyde, (e)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde, 115104-40-0, 3-(2-(7-chloroquinoline-2-yl)-(e)-vinyl)benzaldehyde, 3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
Molecular Formula
C18H12ClNO
Molecular Weight
293.7  g/mol
InChI Key
JTRDWIOIDMLMNN-XBXARRHUSA-N
FDA UNII
7A6GHC3KVE

Benzaldehyde
1 2D Structure

Benzaldehyde

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
2.1.2 InChI
InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
2.1.3 InChI Key
JTRDWIOIDMLMNN-XBXARRHUSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)C=O)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2
2.1.5 Isomeric SMILES
C1=CC(=CC(=C1)C=O)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2
2.2 Other Identifiers
2.2.1 UNII
7A6GHC3KVE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 120578-03-2

2. (e)-3-(2-(7-chloroquinolin-2-yl)vinyl)benzaldehyde

3. (e)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

4. 115104-40-0

5. 3-(2-(7-chloroquinoline-2-yl)-(e)-vinyl)benzaldehyde

6. 3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

7. 7a6ghc3kve

8. 3-[2-(7-chloro-2-quinolyl)vinyl]benzaldehyde

9. 3-[2-(7-chloroquinolin-2-yl)vinyl]benzaldehyde

10. 3-(2-(7-chloroquinolin-2-yl)-ethenyl)benzaldehyde

11. (e)-3-(2-(7-chloro-2-quinolinyl)ethenyl)benzaldehyde

12. 3-[2(e)-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

13. 3-[2(e)-(7-chloroquinolin-2-yl)ethenyl}benzaldehyde

14. Monal

15. Unii-7a6ghc3kve

16. Ec 421-800-1

17. Schembl919522

18. 3-((e)-2-(7-chloro-2-quinolinyl)vinyl)benzaldehyde

19. Amy741

20. Bcp10510

21. Mfcd02684215

22. Zinc22009413

23. Akos015966686

24. Ac-9619

25. Da-16869

26. Ws-02652

27. Cs-0000048

28. D83332

29. 3-(7-chloroquinol-2-yl-trans-ethenyl)benzaldehyde

30. 578c032

31. A804541

32. J-004364

33. 3-[(e)-2-(7-chloroquinolin-2-yl)vinyl]benzaldehyde

34. 3-[(e)-2-(7-chloroquinoline-2-yl)vinyl]benzaldehyde

35. 3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]-benzaldehyde

36. 3-[(e)-2-(7-chloro-quinolin-2-yl)-vinyl]-benzaldehyde

37. 3-(2-(7-chloro-2-quinolinyl)ethenyl)benzaldehyde, (e)-

38. Benzaldehyde, 3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)-

39. Benzaldehyde, 3-(2-(7-chloro-2-quinolinyl)ethenyl)-, (e)-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 293.7 g/mol
Molecular Formula C18H12ClNO
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass293.0607417 g/mol
Monoisotopic Mass293.0607417 g/mol
Topological Polar Surface Area30 Ų
Heavy Atom Count21
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

SUGAI CHEMICAL INDUSTRY CO LTD

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Medlab Asia & Asia Health
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SUGAI CHEMICAL INDUSTRY CO LTD

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Medlab Asia & Asia Health
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Wuhan Biet

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Medlab Asia & Asia Health
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Wuhan Biet

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Medlab Asia & Asia Health
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API Reference Price

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MAHARASHTRA","supplier":"JIANGXI BROTHER PHARMACEUTICAL CO., LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"DOEHLER INDIA PRIVATE ","customerCountry":"INDIA","quantity":"3000.00","actualQuantity":"3000","unit":"KGS","unitRateFc":"8","totalValueFC":"24263.8","currency":"USD","unitRateINR":"679.6","date":"21-Oct-2024","totalValueINR":"2038800","totalValueInUsd":"24263.8","indian_port":"JNPT","hs_no":"29124100","bill_no":"6253843","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"JISHAN INDUSTRIAL PARK, PENGZE COUN TY, JIUJIANG CITY, JIANGXI PROVINCE , CHINA ., , China China","customerAddress":"PLOT NO.3, SURVEYNO.285,VILLAGE MAN"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1729708200,"product":"BENZALDEHYDE 906707 (AROMATIC CHEMICAL)","address":"NOVELL HOUSE RD NO 13 MIDC MAROL","city":"MUMBAI, MAHARASHTRA","supplier":"FIRMENICH","supplierCountry":"UNITED STATES","foreign_port":"SINGAPORE","customer":"FIRMENICH","customerCountry":"INDIA","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"18.9","totalValueFC":"1485.1","currency":"USD","unitRateINR":"2495.8","date":"24-Oct-2024","totalValueINR":"124791.55","totalValueInUsd":"1485.1","indian_port":"JNPT","hs_no":"29122100","bill_no":"6310284","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"SINGAPORE","supplierAddress":"10,TUAS WEST ROAD 638377, , SINGAPO RE SDNF SINGAPORE","customerAddress":"NOVELL HOUSE RD NO 13 MIDC MAROL"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1730053800,"product":"VANILLIN (VANRIVE BRAND) (AS PER INVOICE NO:TFC2409043) (CAS NO:121-33-5 & IUPAC NAME:4-HYDROXY-3-METHOXYBENZALDEHYDE)","address":"NOVELL HOUSE RD NO 13 MIDC MAROL","city":"MUMBAI, MAHARASHTRA","supplier":"CHONGQING THRIVE FINE ","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"FIRMENICH","customerCountry":"INDIA","quantity":"900.00","actualQuantity":"900","unit":"KGS","unitRateFc":"7.7","totalValueFC":"6960.7","currency":"USD","unitRateINR":"649.9","date":"28-Oct-2024","totalValueINR":"584881","totalValueInUsd":"6960.7","indian_port":"Dahez-SEZ","hs_no":"29124100","bill_no":"1005330","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"NO 2 HUA NAN 1 ROAD,CHEMICAL PARKCH ANGSHOU DISTRICT,CHONGQINGPOSTAL CO DE 401221 CHINA","customerAddress":"NOVELL HOUSE RD NO 13 MIDC MAROL"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1730140200,"product":"4-HYDROXYBENZALDEHYDE 99%MIN","address":"PLOT NO. C-24, INDUSTRIAL ESTATE,","city":"HYDERABAD. AP","supplier":"M\/S.FARMASINO CO.,LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"MAITHRI LABORATORIES PRIVATE LIMITED","customerCountry":"INDIA","quantity":"3735.50","actualQuantity":"3735.5","unit":"KGS","unitRateFc":"7.4","totalValueFC":"27984.3","currency":"USD","unitRateINR":"629.5","date":"29-Oct-2024","totalValueINR":"2351420.67","totalValueInUsd":"27984.3","indian_port":"Madras Sea","hs_no":"29124999","bill_no":"6391952","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"BUILDING 5, NO.9 WEIDI ROAD, NANJING, CHINA SDNF CN","customerAddress":"PLOT NO. C-24, INDUSTRIAL ESTATE,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1730140200,"product":"4-HYDROXYBENZALDEHYDE 99%MIN","address":"PLOT NO. C-24, INDUSTRIAL ESTATE,","city":"HYDERABAD. AP","supplier":"M\/S.FARMASINO CO.,LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"MAITHRI LABORATORIES PRIVATE LIMITED","customerCountry":"INDIA","quantity":"7314.50","actualQuantity":"7314.5","unit":"KGS","unitRateFc":"7.4","totalValueFC":"54796.1","currency":"USD","unitRateINR":"629.5","date":"29-Oct-2024","totalValueINR":"4604327.81","totalValueInUsd":"54796.1","indian_port":"Madras Sea","hs_no":"29124999","bill_no":"6391952","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"BUILDING 5, NO.9 WEIDI ROAD, NANJING, CHINA SDNF CN","customerAddress":"PLOT NO. C-24, INDUSTRIAL ESTATE,"}]
02-Jan-2021
29-Oct-2024
KGS
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
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USP

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01

Medlab Asia & Asia Health
Not Confirmed
Medlab Asia & Asia Health
Not Confirmed

Benzaldehyde

CAS Number : 100-52-7

Quantity Per Vial :

Sale Unit :

Price :

Details :

Monograph :

Storage :

Code/Batch No :

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02

USP

U.S.A
arrow
Medlab Asia & Asia Health
Not Confirmed

USP

U.S.A
arrow
Medlab Asia & Asia Health
Not Confirmed

Benzaldehyde (3 X 1 mL) (List Chemical)

CAS Number : 100-52-7

Quantity Per Vial : 3

Sale Unit : ml

Price : $245.00

Details : Material Origin- Chemical Synthesis; USMCA- N...

Monograph :

Storage :

Code/Batch No : Catalog #1050905 / R079U0

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03

USP

U.S.A
arrow
Medlab Asia & Asia Health
Not Confirmed

USP

U.S.A
arrow
Medlab Asia & Asia Health
Not Confirmed

Benzaldehyde Propylene Glycol Acetal (5 x 0.5...

CAS Number : 2568-25-4

Quantity Per Vial : 2.5

Sale Unit : ml

Price : $168.75

Details : Material Origin- Chemical Synthesis; USMCA- N...

Monograph :

Storage :

Code/Batch No : Catalog #1050949 / F0L333

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