6-Bromo-2-methylquinolin-4-ol
Basic information
- CAS
103030-28-0- Standard SMILES
Cc1cc(=O)c2cc(Br)ccc2[nH]1- InChIKey
WPSHYKVAGQUPJD-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 6-Bromo-2-methylquinolin-4-ol
- IUPAC
- 6-bromo-2-methyl-1H-quinolin-4-one
- English name
- 6-Bromo-2-methyl-4-quinolinol
- Molecular formula
- C10H8BrNO
- Molecular weight
- 238.08
Names & synonyms
6-bromo-2-methylquinolin-4-ol6-bromo-2-methyl-4-quinolinolRefChem:540783802-655-5103030-28-06-bromo-2-methyl-1H-quinolin-4-one6-bromo-2-methylquinolin-4(1H)-one112182-47-56-Bromo-4-hydroxy-2-methylquinolineMFCD004844336-bromo-2-methyl-1,4-dihydroquinolin-4-one5797-35-3
Show more names
Ux000042086-Bromo-2-methyl-4-quinolino2-Methyl-4-hydroxy-6-broMoquinoline6-bromo-2-methyl-4-quinolinol(SALTDATA: FREE)
6-bromo-2-methyl-4(1H)-quinolinone6-Bromo-2-methyl-quinolin-4-ol4-Quinolinol, 6-bromo-2-methyl-SMR000122960CBMicro_006354Cambridge id 57973536-bromo-4-hydroxyquinaldineOprea1_255541
Database identifiers
- CAS
103030-28-0- PubChem CID
- 2905902
- DTXSID
DTXSID10908169- ChEMBL
CHEMBL1566710- EC Number
- 802-655-5
- Nikkaji
- J1.982.961H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 338 °C · 338 °C
- Boiling point
- 368.8 · 368.8±37.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.98 · 3.98±0.40(Predicted)
- Appearance
- White to light brown Solid
- InChI
- 1S/C10H8BrNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
- InChIKey
- WPSHYKVAGQUPJD-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)c2cc(Br)ccc2n1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338+P310
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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Suppliers
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Related reactions
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Compound notes
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