Basic information
- CAS
763131-37-9- Standard SMILES
CC(C)c1ccc(NCc2cc(Br)ccc2O)cc1- InChIKey
WLZCSKSUZOUBQZ-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO
- Average molar mass
- 320.22 g/mol
- Monoisotopic mass
- 319.05718
Names & identifiers
- Preferred name
- 4-Bromo-2-[[[4-(1-methylethyl)phenyl]amino]methyl]phenol
- IUPAC
- 4-bromo-2-[(4-propan-2-ylanilino)methyl]phenol
- English name
- 4-Bromo-2-[(4-isopropylanilino)methyl]benzenol
- Molecular formula
- C16H18BrNO
- Molecular weight
- 320.22
Names & synonyms
763131-37-94-Bromo-2-[[[4-(1-methylethyl)phenyl]amino]methyl]phenol4-Bromo-2-(((4-(1-methylethyl)phenyl)amino)methyl)phenolRefChem:2906214-bromo-2-[(4-isopropylanilino)methyl]benzenol4-Bromo-2-(((4-isopropylphenyl)amino)methyl)phenol4-bromo-2-[(4-propan-2-ylanilino)methyl]phenol4-bromo-2-{[(4-isopropylphenyl)amino]methyl}phenol4-bromo-2-[(4-isopropylanilino)methyl]phenol4-bromo-2-({[4-(propan-2-yl)phenyl]amino}methyl)phenolDTXSID601200627MFCD05155006
Show more names
SALOR-INT L446823-1EA4-BROMO-2-((4-ISOPROPYLANILINO)METHYL)PHENOLPhenol, 4-bromo-2-[[[4-(1-methylethyl)phenyl]amino]methyl]-
STK900560AKOS005108991JS-28884-Bromo-2-{[4-(propan-2-yl)anilino]methyl}phenol
Database identifiers
- CAS
763131-37-9
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 429.3 · 429.3±40.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H410
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): 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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H315-H335-H410
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
COMBI-BLOCKS[email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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