7-Bromo-4-Chloroquinoline

HCID 10800239CAS 75090-52-7

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccnc2cc(Br)ccc12
InChIKey: JJUTYYVZDKDLBC-UHFFFAOYSA-N
Molecular formula: C9H5BrClN
Average molar mass: 242.5 g/mol
Monoisotopic mass: 240.92938894

Names & identifiers

Preferred name: 7-Bromo-4-Chloroquinoline
IUPAC: 7-bromo-4-chloroquinoline
English name: 7-Bromo-4-chloroquinoline
Molecular formula: C9H5BrClN
Molecular weight: 242.5

Names & synonyms

7-Bromo-4-Chloroquinoline75090-52-7DTXSID50445109RefChem:310436DTXCID70395930804-045-44-Chloro-7-bromoquinoline7-bromo-4-chloro-quinolineMFCD02684221Quinoline, 7-bromo-4-chloro-SCHEMBL1809544AKOS002683685

Show more names

BUTTPARK 89\09-077-Bromo-4-chloroquinoline 98%7-Bromo-4-chloro-1-azanaphthalene

7-Bromo-4-chloroquinoline, AldrichCPRAB12594SY031845EN300-79433Z1210889726AMY23044A958489TA76MZ3L

Database identifiers

CAS: 75090-52-7
PubChem CID: 10800239
DTXSID: DTXSID50445109
UNII: 89TA76MZ3L
EC Number: 804-045-4
Nikkaji: J2.289.083B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 105 · 105-106 °C
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
form: solid
pka: 1.99 · 1.99±0.27(Predicted)
color: Beige
InChI: InChI=1S/C9H5BrClN/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey: JJUTYYVZDKDLBC-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Br)C=2)C(Cl)=CC=1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
Hazard Codes: T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2933499090 · 2933499090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 2933499090
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310