4,4'-Dichlorobenzhydrol

HCID 7033CAS 90-97-1

Substructure search Find similar structures

Basic information

Standard SMILES: OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey: PHUYGURFBULKPA-UHFFFAOYSA-N
Molecular formula: C13H10Cl2O
Average molar mass: 253.12 g/mol
Monoisotopic mass: 252.0108703

Names & identifiers

Preferred name: 4,4'-Dichlorobenzhydrol
IUPAC: bis(4-chlorophenyl)methanol
English name: 4,4'-Dichlorobenzhydrol
Molecular formula: C13H10Cl2O
Molecular weight: 253.12

Names & synonyms

4,4'-Dichlorobenzhydrol90-97-1Bis(4-chlorophenyl)methanolP,P'-DICHLOROBENZHYDROL4,4'-DichlorodiphenylcarbinolCR5KH591G44,4'-dichlorobenzhydryl alcoholNSC-5250NSC-121779DTXSID50753674-chloro-alpha-(4-chlorophenyl)benzenemethanolCHEBI:190399

Show more names

DBHp,p'-DBHDichlorobenzhydrol4,4'-dichlorbenzhydrolLABOTEST-BB LT001597014,4''DichlorobenzhyolrolDBH[degradation product]

Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-RefChem:96241DTXCID9048699202-029-64,4-dichlorobenzhydrolMFCD000006294,4'-Dichloro-alpha-phenylbenzylic alcoholBenzenemethanol, 4-chloro-a-(4-chlorophenyl)-

Database identifiers

CAS: 90-97-1
PubChem CID: 7033
DTXSID: DTXSID5075367
ChEBI: CHEBI:190399
UNII: CR5KH591G4
EC Number: 202-029-6
Nikkaji: J82.224H

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 91 · 91-95 °C
Boiling point: 386.1 · 386.1±32.0 °C(Predicted)
Density: 1.2806 · 1.2806 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 13.14 · 13.14±0.20(Predicted)
form: Solid
color: White to Off-White
Water Solubility: Insoluble in water.
BRN: 1878717 · 1878717
CAS DataBase Reference: 90 · 90-97-1(CAS DataBase Reference)
FDA UNII: 5 KH591G4 · CR5KH591G4
NIST Chemistry Reference: Methanol, bis-(p-chlorophenyl)-(90-97-1)
EPA Substance Registry System: p,p'-Dichlorobenzhydrol (90-97-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-22
Safety Statements: 37 · 37/39-26-36
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2906290090
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 37/39-26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4,4'-Dichlorobenzhydrol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Upstream & downstream products

Upstream raw materials

4,4'-(BroMoMethylene)bis(chlorobenzene)4-chlorophenyllithium 3-Phenyl-1,4,2-dioxazolidin-5-one 4-Chlorophenylmagnesium bromide DDOH P,P'-DDD

Downstream products

4,4'-DDMU 4,4'-DDM

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 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.