HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

6-Bromo-2-chloroquinoline-4-carbonyl chloride

HCID 2735552
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
287176-63-0
Standard SMILES
O=C(Cl)c1cc(Cl)nc2ccc(Br)cc12
InChIKey
KEDNSMBVYXSBFC-UHFFFAOYSA-N
Molecular formula
C10H4BrCl2NO
Average molar mass
304.95 g/mol
Monoisotopic mass
302.88533

Names & identifiers

Preferred name
6-Bromo-2-chloroquinoline-4-carbonyl chloride
IUPAC
6-bromo-2-chloroquinoline-4-carbonyl chloride
English name
6-Bromo-2-chloroquinoline-4-carbonyl chloride
Molecular formula
C10H4BrCl2NO
Molecular weight
304.95

Names & synonyms

6-bromo-2-chloroquinoline-4-carbonyl chloride287176-63-06-bromo-2-chloro-4-quinolinecarbonyl chloride4-Quinolinecarbonyl chloride, 6-bromo-2-chloro-SCHEMBL2348562DTXSID00370790KEDNSMBVYXSBFC-UHFFFAOYSA-NMFCD00124915DB-0474416-Bromo-4-(chlorocarbonyl)-2-chloroquinoline, 6-Bromo-2-chloro-4-(chlorocarbonyl)-1-azanaphthalene

Database identifiers

CAS
287176-63-0
PubChem CID
2735552
DTXSID
DTXSID00370790

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
264

Physicochemical properties

Melting point
140 °C · 140 °C
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314-H290
Precautionary statements
501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Hazard Codes
Xi,Xn
Risk Statements
34 · 34-22
Safety Statements
26 · 26-36/37/39
RIDADR
3261 · 3261
Hazard Note
Irritant
HS Code
2933998090 · 2933998090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

ridadr
3261
hs_code
2933998090
risk_code
34-22
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi,Xn
hazard_note
Irritant
safety_code
26-36/37/39
Hazard statements
H314-H290
Precautionary statements
P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405

Related reactions

2 records
New reaction record
HRID 177264 reaction equation
HRID 177264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1678312 reaction equation
HRID 1678312As reactantuspto-grants-2011_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes