3D Mol Similar

7-Bromoheptanenitrile

Iupac Name：7-bromoheptanenitrile

CAS No.: 20965-27-9

Molecular Weight：190.084

Modify Date.: 2022-11-23 20:49

Introduction:

clear yellow to yellow-brown liquid

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 7-Bromoheptanenitrile
1.2 Synonyms: 1-BROMO-6-CYANOHEXANE 1-bromoheptanenitrile 5-bromoheptanenitrile 6-BROMOHEXYL CYANIDE 6-bromohexylcyanide 6-Cyanohexyl bromide 7-bromanylheptanenitrile 7-BROMOHEPTANENITRILE 7-BROMOHEPTANITRILE 7-BROMOHEPTANONITRILE EINECS 244-128-7 Heptanenitrile, 7-bromo- Heptanenitrile,7-bromo MFCD00001982 NSC 60131

1.3 CAS No.: 20965-27-9

1.4 CID: 88737

1.5 EINECS(EC#): 244-128-7

1.6 Molecular Formula: C7H12BrN (isomer)

1.7 Inchi: InChI=1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2

1.8 InChkey: HVVQSKCGHAPHMV-UHFFFAOYSA-N

1.9 Canonical Smiles: C(CCCBr)CCC#N

1.10 Isomers Smiles: C(CCCBr)CCC#N

2. Properties

2.1 Density: 1.265

2.1 Boiling point: 140-141℃ (14 mmHg)

2.1 Refractive index: 1.4735-1.4755

2.1 Flash Point: >110℃

2.1 Precise Quality: 189.01500

2.1 PSA: 23.79000

2.1 logP: 2.85538

2.1 Appearance: clear yellow to yellow-brown liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: clear yellow to yellow-brown liquid 7-Bromoheptanenitrile Preparation Products And Raw materials Preparation Products

2.4 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

2.5 StorageTemp: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: R20/21/22;R36/37/38

3.1 Safety Statements: S26;S36/37/39

3.1 Packing Group: III

3.1 Hazard Class: 6.1

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: 3276

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

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 H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
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. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

6. Synthesis Route

20965-27-9Total: 8 Synthesis Route

629-11-8 197 Suppliers

20965-27-9 47 Suppliers

Literatures:
Pr.roy.Soc., , vol. 133, p. 51
Yield: null

2009-83-8 171 Suppliers

20965-27-9 47 Suppliers

Literatures:
Pr.roy.Soc., , vol. 133, p. 51
Yield: null

17976-80-6 1 Suppliers

20965-27-9 47 Suppliers

Literatures:
Pr.roy.Soc., , vol. 133, p. 51
Yield: null

View all

7. Precursor and Product

precursor:

629-03-8

2009-83-8

5162-44-7

629-11-8

17976-80-6

773837-37-9

product :

131379-23-2

23181-80-8

131379-24-3

5399-02-0

62578-12-5

18214-15-8

62578-09-0

54049-24-0

629-08-3

58793-92-3

5048-25-9

334-44-1

2244-07-7

124-12-9

54005-84-4

629-60-7

68887-67-2

View all

8. Other Information

8.0 Manufacturing Info: Heptanenitrile, 7-bromo-: ACTIVE

9. Computational chemical data

Molecular Weight: 190.084g/mol
Molecular Formula: C₇H₁₂BrN
Compound Is Canonicalized: True
XLogP3-AA: 2.3
Exact Mass: 189.01531
Monoisotopic Mass: 189.01531
Complexity: 92.3
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 23.8
Heavy Atom Count: 9
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: AAADccBiAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHABAAAABSACBAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAACAAgAIAAAAAAAAAAAAAAAkAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Recommended Suppliers

Global44SuppliersView all >>

Amitychem Corporation Diamond member

3YRS

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

Factory Supply 7-Bromoheptanonitrile

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/03/01

Inquire

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

12YRS

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

7-Bromoheptanonitrile

Purity:99%Packing: 200kg/bag FOB
Price: 2 USD/kilogram
Time: 2023/04/23

Inquire

Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

2YRS

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
Tel:+86-571-82512721
Email:sales@zeerrui.com

7-Bromoheptanenitrile manufature

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/05/26

Inquire

Jinan Haohua Industry Co., Ltd. Audited Suppliers

Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
Tel:0086-531-58773055

7-BROMOHEPTANENITRILE

Purity:99%Packing: 200kg/bag FOB
Price: 0 RMB/kilogram
Time: 2018/11/21

Inquire

Xiamen Zhongyuan Hongye Chemical Co., Ltd. Audited Suppliers

Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
Tel:+86-0592-5567629

High quality Ethylenediamine Hydrochloride supplier in China

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2021/07/13

Inquire

Recently Updated : 160823-91-6 299403-62-6 160205-79-8 60378-34-9 1000309-72-7 1347750-73-5 2801772-85-8 2140807-20-9 2140807-18-5 2140807-22-1