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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 51341979Generated: November 4, 2026

5-Bromo-3-chloroisoquinoline

4-bromo-5-chloroisoquinoline · Isoquinoline, 4-bromo-5-chloro-

https://huagongshe.com/en/chemical/51341979

5-Bromo-3-chloroisoquinoline molecular structure

Identifiers & Physical Properties

CAS No.1029720-67-9
Molecular formulaC9H5BrClN
Average molar mass242.5 g/mol
Monoisotopic mass240.92939 g/mol
SMILESClc1cc2c(Br)cccc2cn1
InChIKeyUXXDWKJBKXMGSQ-UHFFFAOYSA-N
PubChem CID51341979
EC No.692-494-5

Chemical & Physical Properties

XLogP3.8
Topological polar surface area12.9
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds0
Heavy atoms12
Formal charge0
Complexity165
Boiling point332.3±22.0 °C(Predicted)
Density1.673±0.06 g/cm3(Predicted)
Storage conditionsStorage temp. 2-8°C
pKa (acidity coefficient)2.33±0.14(Predicted)
AppearanceLight yellow to orange Solid
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338