3D Mol Similar

6-Chlorohexanol

Iupac Name：6-chlorohexan-1-ol

CAS No.: 2009-83-8

Molecular Weight：136.619

Modify Date.: 2022-11-29 09:02

Introduction:

Agricultural chemicals (non-pesticidal)

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 6-Chlorohexanol
1.2 Synonyms: 1-Chloro-6-hexanol 1-Chloro-6-hydroxyhexane 1-CHLORO-6-HYDROXYHEXANE, 6-CHLORO-1-HEXANOL 1-chloro-6-hydroxypropane 1-Hexanol, 6-chloro- 6-Chlor-1-Hexanol 6-chloro-1-hexano 6-Chloro-1-hexanol 6-chlorohexan-1-ol Chlorohexanol Hexamethylene Chlorohydrin NSC 3700 omega-chlorohexanol ω-Chlorohexanol

1.3 CAS No.: 2009-83-8

1.4 CID: 74828

1.5 EINECS(EC#): 217-925-2

1.6 Molecular Formula: C6H13ClO (isomer)

1.7 Inchi: InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2

1.8 InChIkey: JNTPTNNCGDAGEJ-UHFFFAOYSA-N

1.9 Canonical Smiles: C(CCCCl)CCO

1.10 Isomers Smiles: C(CCCCl)CCO

2. Properties

2.1 Density: 1.024

2.1 Melting point: 129-130

2.1 Boiling point: 108-112℃ (14 mmHg)

2.1 Refractive index: 1.4547-1.4567

2.1 Flash Point: 98℃

2.1 Precise Quality: 136.06500

2.1 PSA: 20.23000

2.1 logP: 1.77790

2.1 Solubility: Soluble in dimethylformamide.

2.2 Appearance: clear colorless to pale yellow liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: clear colorless to pale yellow liquid

2.5 Color/Form: Clear colorless to pale yellow

2.6 pKa: 15.17±0.10(Predicted)

2.7 Water Solubility: Insoluble

2.8 Stability: Aq solution of pentobarbital sodium are not Pentobarbital sodium sensitive to air and moisture pentobarbital sodium alkaline solution decomp on storage and heating.

2.9 StorageTemp: Refrigerator

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 38 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 38 companies. For more detailed information, please visit ECHA C&L website

Of the 7 notification(s) provided by 37 of 38 companies with hazard statement code(s):

H302 (24.32%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (81.08%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (91.89%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (91.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (83.78%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501

3.2 Usage: This is a drug of abuse.

4. Safety and Handling

4.1 Hazard Codes: Xn

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

4.1 Safety Statements: S26;S36/37/39

4.1 Packing Group: I; II; III

4.1 Hazard Class: IRRITANT

4.1 Hazard Declaration: H312 + H332-H315-H319

4.1 RIDADR: UN 2810

4.1 Caution Statement: P280-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 RTECS: MO9160000

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H312 Harmful in contact with skin H315 Causes skin irritation H319 Causes serious eye irritation H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. 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/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. 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.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

1H NMR : 90 MHz in CDCl3

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

2009-83-8Total: 12 Synthesis Route

629-11-8 197 Suppliers

2009-83-8 171 Suppliers

Literatures:
Khusnutdinov; Shchadneva; Burangulova; Muslimov; Dzhemilev Russian Journal of Organic Chemistry, 2006 , vol. 42, # 11 p. 1615 - 1621
Yield: ~98%

928-89-2 38 Suppliers

2009-83-8 171 Suppliers

Literatures:
Tetrahedron Letters, , vol. 36, # 18 p. 3161 - 3164
Yield: null

928-51-8 124 Suppliers

2009-83-8 171 Suppliers

Literatures:
US5362725 A1, ; US5476848 A1, ;
Yield: null

View all

8. Precursor and Product

precursor:

592-90-5

629-11-8

10297-06-0

928-51-8

928-89-2

4224-62-8

59431-24-2

product :

1633-78-9

4430-39-1

4753-80-4

1119-46-6

4286-55-9

52387-36-7

506-32-1

40200-18-8

629-11-8

1862-07-3

629-30-1

821-41-0

90601-71-1

1550-09-0

62295-83-4

6968-82-7

373-32-0

83883-26-5

6947-12-2

35387-44-1

6294-17-3

2162-98-3

4224-62-8

4224-63-9

3515-94-4

View all

9. Other Information

9.0 Usage: 6-Chloro-1-hexanol is used in the preparation of its corresponding bromide by reaction with sodium bromide using N,N-dimethylformamide and dibromomethane (2:1) as a solvent. It is utilized in the selective elimination of 6-chloro-1-hexene from esters of 6-chloro-1-hexanol.

9.1 Production: < 25,000 lb

9.2 Manufacturing Info: Pesticide, fertilizer, and other agricultural chemical manufacturing|1-Hexanol, 6-chloro-: ACTIVE

10. Computational chemical data

Molecular Weight: 136.619g/mol
Molecular Formula: C₆H₁₃ClO
Compound Is Canonicalized: True
XLogP3-AA: 1.6
Exact Mass: 136.0654927
Monoisotopic Mass: 136.0654927
Complexity: 39.5
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 8
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: AAADccBgIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIACAAACAOggEIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAgAAEAIBAAAAQAAEAAAAAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Recommended Suppliers

Global169SuppliersView all >>

Hebei Chengcai Biotechnology Co., LTD Diamond member

-122YR

Products:We are engaged in the development, marketing and sales of apis, intermediates, natural products (extracts), fine chemicals, food additives, agricultural chemicals and other products.
Tel:0086-0319-19131200228
Email:17610795226@chengcaibio.com

Supply 6-Chlorohexanol form China

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kg
Time: 2023/06/09

Inquire

Hubei Jiutian Bio-medical Technology Co., Ltd Diamond member

-119YR

Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
Tel:86-173-54350817
Email:Ryan@jiutian-bio.com

6-Chlorohexanol

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/02/03

Inquire

Amitychem Corporation Diamond member

-120YR

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

Factory Supply 1-Chloro-6-hydroxyhexane

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

Inquire

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

-111YR

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

6-Chloro-1-hexanol

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/06/02

Inquire

Hangzhou Utanpharma biology co,.Ltd Diamond member

-117YR

Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
Tel:86-571-86820258
Email:kevin@utanpharma.com

6-Chlorohexanol

Purity:99%Packing: 200kg/bag FOB
Price: 0 USD/kilogram
Time: 2023/05/31

Inquire

Recently Updated : 1547031-76-4 2784692-88-0 119713-29-0 2111875-27-3 2058400-64-7 1421930-87-1 2397585-01-0 119409-66-4 789481-18-1 1342422-35-8