7-Bromoquinoline-2-carboxylic acid
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Basic information
- CAS
1057217-63-6- Standard SMILES
O=C(O)c1ccc2ccc(Br)cc2n1- InChIKey
PLRDUYBIGUGOKD-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO2
- Average molar mass
- 252.06 g/mol
- Monoisotopic mass
- 250.95819
Names & identifiers
- Preferred name
- 7-Bromoquinoline-2-carboxylic acid
- IUPAC
- 7-bromoquinoline-2-carboxylic acid
- English name
- 7-BroMoquinoline-2-carboxylic acid
- Molecular formula
- C10H6BrNO2
- Molecular weight
- 252.06
Names & synonyms
7-Bromoquinoline-2-carboxylic acid1057217-63-6DTXSID60652867RefChem:310491DTXCID60603617MFCD111086937-Bromo-2-quinolinecarboxylic acidAKOS015920292CS-W008858DS-1408SB715397-Bromoquinoline-2-carboxylic acid, 96%
Show more names
2-Quinolinecarboxylic acid, 7-bromo-
EN300-6257937-Bromoquinoline-2-carboxylicacid7-Bromoquinoline-2A895956SCHEMBL3365551SY102273DB-369551F079844
Database identifiers
- CAS
1057217-63-6- PubChem CID
- 33746352
- DTXSID
DTXSID60652867- EC Number
- 694-436-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 192 · 192-198°C
- Boiling point
- 403.1 · 403.1±30.0 °C(Predicted)
- Density
- 1.732 · 1.732±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.68 · 3.68±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C10H6BrNO2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1-5H,(H,13,14)
- InChIKey
- PLRDUYBIGUGOKD-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(Br)C=2)C=CC=1C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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