Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 640963Generated: October 23, 2026

1-Bromoisoquinoline

1-BROMOISOQUINOLINE · Isoquinoline, 1-broMo- · 1-Bromoisoquinoline >1-Bromoisoquinoline 95% · 1-BROMOISOQUINOLINE, 95+% · 1-Bromoisoquinoline, White to amber · 1-Bromoisoquinoline ISO 9001：2015 REACH · Carbamicacid,N-(2-bromoethyl)-N-methyl-,1,4-dimethylethylester · Isoquinoline, 1-broMo- Superlist NaMe：1-broMoisoquinoline

https://huagongshe.com/en/chemical/640963

1-Bromoisoquinoline molecular structure

Identifiers & Physical Properties

CAS No.1532-71-4
Molecular formulaC9H6BrN
Average molar mass208.05 g/mol
Monoisotopic mass206.96836129 g/mol
SMILESBrc1nccc2ccccc12
InChIKeyYWWZASFPWWPUBN-UHFFFAOYSA-N
PubChem CID640963
EC No.679-571-9
DTXSIDDTXSID20348830

Chemical & Physical Properties

XLogP3.3
Topological polar surface area12.9
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds0
Heavy atoms11
Formal charge0
Complexity138
Melting point42.0 to 46.0 °C
Boiling point316.3±15.0 °C(Predicted)
Density1.564±0.06 g/cm3(Predicted)
Storage conditionsunder inert gas (nitrogen or Argon) at 2-8°C
pKa (acidity coefficient)2.03±0.30(Predicted)
Physical stateLow Melting Solid
ColorLight yellow to light brown
InChI1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKeyYWWZASFPWWPUBN-UHFFFAOYSA-N
SMILESBrc1nccc2ccccc12
CAS DataBase Reference1532-71-4(CAS DataBase Reference)
UNSPSC Code12352100
GHS pictogramGHS07,GHS05,GHS06
Signal wordDanger
GHS hazard statementsH301-H318-H315-H319
GHS precautionary statementsP264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P301+P310-P305+P351+P338
Hazard symbolsXi,T
Risk statements (R)25-41
Safety statements (S)26-45
UN transport numberUN 2811 6.1 / PGIII
Water hazard class (WGK)2
Customs code29334900
Storage class6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard classAcute Tox. 3 OralEye Dam. 1

Safety & Regulations

GHS classificationDangerH301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (93.2%)
Water hazard class (WGK)2
UN transport numberUN 2811 6.1 / PGIII
Customs code29334900
Risk statements (R)25-41
Signal wordDanger
GHS pictogramGHS07,GHS05,GHS06
Hazard symbolsXi,T
Safety statements (S)26-45
Storage class6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
GHS hazard statementsH301-H318-H315-H319
Hazard classAcute Tox. 3 OralEye Dam. 1
GHS precautionary statementsP264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P301+P310-P305+P351+P338