Basic information
- CAS
15435-29-7- Standard SMILES
Oc1c(Br)cc(Cl)cc1Cc1cc(Cl)cc(Br)c1O- InChIKey
TYBHZVUFOINFDV-UHFFFAOYSA-N- Molecular formula
- C13H8Br2Cl2O2
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 423.82681
Overview
structure
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(6-bromo-4-chlorophenol)
- IUPAC
- 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol
- English name
- BROMOCHLOROPHEN
- Molecular formula
- C13H8Br2Cl2O2
- Molecular weight
- 426.92
Names & synonyms
Bromochlorophen15435-29-7Bromochlorophene2,2'-Methylenebis(6-bromo-4-chlorophenol)BromchloropheneBrophenBromochlorofen2JZV1D2GW76,6'-Dibrom-4,4'-dichlor-2,2'-methylendiphenolDTXSID901655963,3-Dibromo-5,5-dichloro-2,2-dihydroxydiphenylmethaneRefChem:121562
Show more names
BromchlorophenC10721200 Bromochlorophenebromochlorofenebromchlorphene2,2’-methylenebis(6-bromo-4-chloro-pheno2,2’-methylenebis(6-bromo-4-chlorophenol)
DTXCID1088087239-446-86,6'-METHYLENEBIS(2-BROMO-4-CHLOROPHENOL)2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenolMFCD001529653,3-Dibromo-5,5-dichloro-2,2-dihydroxy-diphenylmethane3,3'-Dibromo-5,5'-dichloro-2,2'-dihydroxydiphenylmethanePhenol, 2,2'-methylenebis(6-bromo-4-chloro-
Database identifiers
- CAS
15435-29-7- PubChem CID
- 84907
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
DrugsPharmaceuticals
CosmeticsPreservative
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 452.3 · 452.3±40.0 °C(Predicted)
- Density
- 1.923 · 1.923±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.56 · 7.56±0.48(Predicted)
- color
- White to Off-White
- Cosmetics Ingredients Functions
- PRESERVATIVEDEODORANTANTIMICROBIAL
- InChI
- InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.
Warning
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2,2'-methylenebis[6-bromo-4-chloro-
Bromochlorophen: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chlorophene preservatives: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)
Safety data
- rtecs
- SL9710000
- hs_code
- 2907.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationCosmetics -> Preservative
Applications
UsesBromochlorophene is used as a microbicide in cosmetics, e.g., deodorants, mouthwashes, and toothpastes.
Preparation methods
PreparationBromochlorophene is produced by bromination of 2,2'-methylenebis(4-chlorophenol) in glacial acetic acid in the cold.
Suppliers39 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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