7-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile structure

3D Mol Similar

7-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile

Iupac Name：(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid

CAS No.：132327-80-1

Molecular Weight：610.6977

Request For Quotation

1. Names and Identifiers

1.1 Name: 7-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile
1.2 Synonyms: 3-Quinolinecarbonitrile, 7-bromo-1,4-dihydro-4-oxo- 3-Quinolinecarbonitrile, 7-broMo-4-hydroxy- 3-Quinolinecarbonitrile,7-bromo-1,4-dihydro-4-oxo- 3-Quinolinecarbonitrile,7-bromo-4-hydroxy- 4-Oxo-7-bromo-1,4-dihydroquinoline-3-carbonitrile 7-Brom-4-hydroxychinolin-3-carbonitril 7-Brom-4-oxo-1,4-dihydrochinolin-3-carbonitril 7-BROMO-3-CYANO-4-HYDROXYQUINOLINE 7-bromo-4-hydroxyquinoline-3-carbonitrile 7-BROMO-4-OXO-1H-QUINOLINE-3-CARBONITRILE A-2604 AKOS005142017 AS-35647 AX8266503 DTXSID00634142 FCH1380379 MCULE-8993285362 ZINC53994628

1.3 CAS No.: 132327-80-1

1.4 CID: 10919157

1.5 Molecular Formula: C₈H₁₃IN₂ (isomer)

1.6 Inchi: InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1

1.7 InChkey: WDGICUODAOGOMO-DHUJRADRSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

1.9 Isomers Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

2. Properties

3.1 Melting point: 165-172℃

3.1 Refractive index: 1.636

3.1 Vapour pressure: 1.29E-32mmHg at 25°C

3.1 Precise Quality: 610.24700

3.1 PSA: 104.73000

3.1 logP: 7.64860

3. Safety and Handling

4.1 Symbol: GHS07

4.1 Signal Word: Warning

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S22;S24/25

4.1 Hazard Declaration: H317-H413

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P280

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H317 May cause an allergic skin reaction H413 May cause long lasting harmful effects to aquatic life
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight：610.6977g/mol
Molecular Formula：C_₈H_₁₃IN_₂
Compound Is Canonicalized：True
XLogP3-AA：7
Exact Mass：610.24677219
Monoisotopic Mass：610.24677219
Complexity：946
Rotatable Bond Count：12
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：105
Heavy Atom Count：46
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Recommended Suppliers

Global214SuppliersView all >>

Hebei Yanxi Chemical Co.,Ltd Diamond member

3YRS

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-311-66561638
Email:xing@yan-xi.com

Nalpha-Fmoc-Ndelta-trityl-L-glutamineCAS NO.: 132327-80-1

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/05/24

Inquire

Jilin Tely Imp & Exp Co., Ltd Diamond member

3YRS

Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
Tel:86-431-81915458
Email:cathytan@jltely.com

Nalpha-Fmoc-Ndelta-trityl-L-glutamine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2022/05/24

Inquire

Henan Kanbei Chemical Co.,LTD Diamond member

1YR

Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
Tel:86-182-37818276
Email:hnkanbeichemical@126.com

Nalpha-Fmoc-Ndelta-trityl-L-glutamine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/04/27

Inquire

Qiuxian Baitai New Material Co., LTD Diamond member

1YR

Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
Tel:86-00000-+8617065658228
Email:estella@ylbosstech.com

Nalpha-Fmoc-Ndelta-trityl-L-glutamine ... (132327-80-1)

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2022/01/20

Inquire

Amitychem Corporation Diamond member

2YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Fmoc-Gln(Trt)-Oh

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2022/02/09

Inquire