Basic information
- CAS
17696-48-9- Standard SMILES
COc1cccc(C=Nc2ccc(Br)cc2)c1O- InChIKey
IKETWNOKIWCWJQ-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO2
- Average molar mass
- 306.15 g/mol
- Monoisotopic mass
- 305.00514
Names & identifiers
- Preferred name
- Alpha-(4-bromophenylimino)-6-methoxy-O-cresol
- IUPAC
- 2-[(4-bromophenyl)iminomethyl]-6-methoxyphenol
- English name
- 2-{(E)-[(4-bromophenyl)imino]methyl}-6-methoxyphenol
- Molecular formula
- C14H12BrNO2
- Molecular weight
- 306.15
Names & synonyms
17696-48-9RefChem:555235Alpha-(4-bromophenylimino)-6-methoxy-O-cresol665-323-72-{(E)-[(4-bromophenyl)imino]methyl}-6-methoxyphenol623150-88-9Phenol, 2-[(E)-[(4-bromophenyl)imino]methyl]-6-methoxy-2-(((4-Bromophenyl)imino)methyl)-6-methoxyphenol2-{[(4-bromophenyl)imino]methyl}-6-methoxyphenolMFCD000280146-[(4-bromoanilino)methylidene]-2-methoxycyclohexa-2,4-dien-1-onePhenol, 2-[[(4-bromophenyl)imino]methyl]-6-methoxy-
Show more names
DTXSID20425312STK947779AKOS003408319BS-106022-[(4-bromophenyl)iminomethyl]-6-methoxyphenol2-[(4-Bromophenylimino)methyl]-6-methoxyphenol2-{(E)-[(4-Bromophenyl)imino]methyl}-6-methoxyphenol; >90%
Database identifiers
- CAS
17696-48-9、623150-88-9- PubChem CID
- 428982
- DTXSID
DTXSID20425312- EC Number
- 665-323-7
- Nikkaji
- J1.127.484F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 430.7 · 430.7±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H411
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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 38 reports by companies from 1 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
- H315-H335-H319-H411
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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