CAS 114446-57-0

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 114446-57-0, (1r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol, (r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, Schembl7460986, Akos032950078

Molecular Formula

C₈H₇Cl₃O

Molecular Weight

225.5 g/mol

InChI Key

XHEPANNURIQWRM-QMMMGPOBSA-N

1 2D Structure

CAS 114446-57-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-2-chloro-1-(2,4-dichlorophenyl)ethanol

2.1.2 InChI

InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m0/s1

2.1.3 InChI Key

XHEPANNURIQWRM-QMMMGPOBSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)C(CCl)O

2.1.5 Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol

2.2.2 Depositor-Supplied Synonyms

1. 114446-57-0

2. (1r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

3. (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol

4. (r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

5. Schembl7460986

6. Akos032950078

7. As-69603

8. (r)-2,2',4'-trichloro-1-phenylethan-1-ol

9. En300-87664

10. (r)-2-chloro-(2',4'-dichlorophenyl)-1-ethanol

11. (r)-alpha-(chloromethyl)-2,4-dichlorobenzylalcohol

12. (r)-alpha-(chloromethyl)-2,4-dichlorobenzyl Alcohol

13. Benzenemethanol, 2,4-dichloro-alpha-(chloromethyl)-, (alphar)-

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₇Cl₃O
Molecular Weight	225.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.2
Heavy Atom Count	12
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

114446-57-0

Intermediate Name

(1R), 2-chloro-1-(2,4-dichloropheny...

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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