Basic information
- CAS
2642-82-2- Standard SMILES
OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
ZVIDYKRNLNAXFT-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2O
- Average molar mass
- 267.1 g/mol
- Monoisotopic mass
- 266.02652036
Overview
2,2-bis(4-chlorophenyl)ethanol is a organochlorine compound that is 4,4'-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group. It has a role as a xenobiotic metabolite. It is a primary alcohol and a member of monochlorobenzenes. It is functionally related to a 4,4'-dichlorodiphenylmethane.
Names & identifiers
- Preferred name
- 4-Chloro-beta-(4-chlorophenyl)benzeneethanol
- IUPAC
- 2,2-bis(4-chlorophenyl)ethanol
- English name
- DDOH
- Molecular formula
- C14H12Cl2O
- Molecular weight
- 267.15
Names & synonyms
2,2-Bis(4-chlorophenyl)ethanolDDOH2642-82-2p,p'-Ddoh2,2-Bis(4-chlorophenyl)-1-hydroxyethaneEthanol, 2,2-bis(p-chlorophenyl)-DTXSID50413084-Chloro-beta-(4-chlorophenyl)benzeneethanolNSC-8942Benzeneethanol, 4-chloro-beta-(4-chlorophenyl)-59856K2U1EDTXCID3021308
Show more names
p'-DdohC12070000 4,4`-DDOH2,2-Bis4-chlorophenylCetirizine Impurity 864,4′-DDOH, CAS 2642-82-2
CHEBI:28410RefChem:440835220-148-12,2-BIS(P-CHLOROPHENYL)ETHANOLDDOM4,4'-DDOH2,2-Bis(4'-chlorophenyl)ethanolBenzeneethanol, 4-chloro-.beta.-(4-chlorophenyl)-
Database identifiers
- CAS
2642-82-2- PubChem CID
- 17533
- DTXSID
DTXSID5041308- ChEMBL
CHEMBL3182945- ChEBI
CHEBI:28410- UNII
- 59856K2U1E
- EC Number
- 220-148-1
- Nikkaji
- J2.162H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 100 · 100-102 °C(lit.)
- Boiling point
- 387.7 · 387.7±32.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 14.42 · 14.42±0.10(Predicted)
- form
- solid
- BRN
- 2055080 · 2055080
- InChI
- 1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
- InChIKey
- ZVIDYKRNLNAXFT-UHFFFAOYSA-N
- SMILES
- OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 59856 K2U1E · 59856K2U1E
- EPA Substance Registry System
- 2 · 2,2-Bis(p-chlorophenyl)ethanol (2642-82-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 470000 · DA0470000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DA0470000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesDDOH is a metabolite of DDT and forms conjugates with palmitic acid in DDT-treated female rats.
General DescriptionDDOH is a metabolite of DDT and forms conjugates with palmitic acid in DDT-treated female rats.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: 2,2-bis(4-chlorophenyl)ethanol is a organochlorine compound that is 4,4'-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group. It has a role as a xenobiotic metabolite. It is a primary alcohol and a member of monochlorobenzenes. It is functionally related to a 4,4'-dichlorodiphenylmethane.
Related reactions
15 records
Compound notes
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