Basic information
- CAS
194416-45-0- Standard SMILES
COc1ccc(N(c2ccc(Br)cc2)c2ccc(OC)cc2)cc1- InChIKey
XXCDCFFPMMCPEE-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO2
- Average molar mass
- 384.3 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-4',4''-dimethoxytriphenylamine
- IUPAC
- N-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
- English name
- 4-broMo-N,N-bis(4-Methoxyphenyl)aniline
- Molecular formula
- C20H18BrNO2
- Molecular weight
- 384.27
Names & synonyms
194416-45-04-Bromo-4',4''-dimethoxytriphenylamineRefChem:520032808-004-14-bromo-N,N-bis(4-methoxyphenyl)anilineN-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)anilineMFCD22124385SCHEMBL5783014-bromo-N,N-bis(4-methoxyphenyl) anilineA8802004-Bromo-4',4''-dimethoxytriphenAKOS025287123
Show more names
4-BroMo-4‘,4'-diMethoxytriphenylaMine4-BroMo-4',4'-diMethoxyltriphenylaMine4,4'-dimethoxy-4''-bromotriphenylamine4-bromo-4',4'-dimethoxytribenzeneamine4-Bromo-4' ,4' -dimethoxyltriphenylamine4-Bromo-4',4''-dimethoxytriphenylamine >(4-Bromo-phenyl)-bis-(4-methoxy-phenyl)-amineIN1377, 4-Bromo-N,N-bis(4-methoxyphenyl)aniline
AS-40227SY055735B4667F463984doi:10.14272/XXCDCFFPMMCPEE-UHFFFAOYSA-N.1doi:10.14272/XXCDCFFPMMCPEE-UHFFFAOYSA-N.2J-400921
Database identifiers
- CAS
194416-45-0
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 96 · 96-98℃
- Boiling point
- 494.6 · 494.6±40.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -2.37 · -2.37±0.50(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C20H18BrNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
- InChIKey
- XXCDCFFPMMCPEE-UHFFFAOYSA-N
- SMILES
- C1(N(C2=CC=C(Br)C=C2)C2=CC=C(OC)C=C2)=CC=C(OC)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2921.49 · 2921.49.5000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)
Safety data
- hs_code
- 2921.49.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司
Related reactions
4 records
Compound notes
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