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Product No: CR4754

4,4'-Dichlorobenzhydrol, >98.0%

Name: 4,4'-Dichlorobenzhydrol
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

90-97-1

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IUPAC name	bis(4-chlorophenyl)methanol
canonical smiles	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl
inchi	InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
inchi key	PHUYGURFBULKPA-UHFFFAOYSA-N
molecular formula	C13H10Cl2O
synonyms	4,4'-Dichlorobenzhydrol 90-97-1 Bis(4-chlorophenyl)methanol 4,4-dichlorobenzhydrol P,P'-DICHLOROBENZHYDROL
Compound Description	4,4'-dichlorobenzhydrol is a secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. It is a metabolite of the insecticide DDT. It has a role as a bacterial xenobiotic metabolite. It is a secondary alcohol, a member of benzyl alcohols and a member of monochlorobenzenes. It is functionally related to a diphenylmethanol.

Computed Properties

Molecular Weight:	253.12 g/mol
XLogP3:	4.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	252.0108703 g/mol
Monoisotopic Mass:	252.0108703 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	184
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzophenone

Chlorobenzilate

Dicofol

Tetradifon

Pirfenidone

Bisabolol

4-Chlorophenyl phenyl sulfone

Tetrasul

9H-Fluoren-9-ol

Chlorfenethol

Auramine

4,4'-Dichlorodiphenyl sulfone

4-Chlorobenzophenone

(+)-Epi-alpha-bisabolol

Diphenylmethanol

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	bis(4-chlorophenyl)methanol
canonical smiles	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl
inchi	InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
inchi key	PHUYGURFBULKPA-UHFFFAOYSA-N
molecular formula	C13H10Cl2O
synonyms	4,4'-Dichlorobenzhydrol 90-97-1 Bis(4-chlorophenyl)methanol 4,4-dichlorobenzhydrol P,P'-DICHLOROBENZHYDROL
Compound Description	4,4'-dichlorobenzhydrol is a secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. It is a metabolite of the insecticide DDT. It has a role as a bacterial xenobiotic metabolite. It is a secondary alcohol, a member of benzyl alcohols and a member of monochlorobenzenes. It is functionally related to a diphenylmethanol.

Computed Properties

Molecular Weight:	253.12 g/mol
XLogP3:	4.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	252.0108703 g/mol
Monoisotopic Mass:	252.0108703 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	184
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzophenone

Chlorobenzilate

Dicofol

Tetradifon

Pirfenidone

Bisabolol

4-Chlorophenyl phenyl sulfone

Tetrasul

9H-Fluoren-9-ol

Chlorfenethol

Auramine

4,4'-Dichlorodiphenyl sulfone

4-Chlorobenzophenone

(+)-Epi-alpha-bisabolol

Diphenylmethanol

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CR4754

4,4'-Dichlorobenzhydrol, >98.0%

Product No: CR4754

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CR4754

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?