Basic information
- CAS
65340-70-7- Standard SMILES
Clc1ccnc2ccc(Br)cc12- InChIKey
KJILYZMXTLCPDQ-UHFFFAOYSA-N- Molecular formula
- C9H5BrClN
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.92938894
Names & identifiers
- Preferred name
- 6-Bromo-4-chloroquinoline
- IUPAC
- 6-bromo-4-chloroquinoline
- English name
- 6-BROMO-4-CHLOROQUINOLINE
- Molecular formula
- C9H5BrClN
- Molecular weight
- 242.5
Names & synonyms
6-Bromo-4-chloroquinoline65340-70-7DTXSID60408689RefChem:307545DTXCID60359541833-852-44-CHLORO-6-BROMOQUINOLINE6-bromo-4-chloro-quinolineQUINOLINE, 6-BROMO-4-CHLORO-MFCD005110014-choro-6-bromoquinolineSCHEMBL359558
Show more names
BUTTPARK 23\09-04Quinoline,6-bromo-4-chloro-4--6-broMinechlorinequinoline6-Bromo-4-chloroquinoline ,97%6-Bromo-4-chloroquinoline ,98%6-Bromo-4-chloro-1-azanaphthalene6-BROMO-4-CHLOROQUINOLINE ISO 9001：2015 REACH
CS-M0120AKOS0026836866-Bromo-4-chloroquinoline, AldrichCPRAC-3130PB19880B5166EN300-60744AM20070115
Database identifiers
- CAS
65340-70-7- PubChem CID
- 5139537
- DTXSID
DTXSID60408689- UNII
- NT9CC6HE7L
- EC Number
- 833-852-4
- Nikkaji
- J889.338A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 110 · 110-112℃
- Boiling point
- 314.6 · 314.6±22.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- solid
- pka
- 2.76 · 2.76±0.16(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C9H5BrClN/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
- InChIKey
- KJILYZMXTLCPDQ-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(Br)=CC=2)C(Cl)=CC=1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (25%)
Safety data
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 25-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45-36/37
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses6-Bromo-4-chloroquinoline belongs to the class of heterocyclic compounds and has been used in the synthesis of other compounds, such as pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Related reactions
74 records
Compound notes
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