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215453-51-3

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CAS No.: 215453-51-3
Name: 7-Bromo-1-chloroisoquinoline
Article Data: 1
Molecular Structure:
Molecular Structure of 215453-51-3 (7-Bromo-1-chloroisoquinoline)
Formula: C9H5BrClN
Molecular Weight: 242.502
Synonyms: Isoquinoline,7-bromo-1-chloro-;
EINECS: -0
Density: 1.673 g/cm3
Melting Point: 126-128 °C
Boiling Point: 349.497 °C at 760 mmHg
Flash Point: 165.17 °C
Solubility: Insoluble in water.
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-37
PSA: 12.89000
LogP: 3.65070
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  • 7-bromo-1-chloroisoquinoline

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    7-bromo-1-chloroisoquinoline

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Chemistry

Molecular structure of 7-Bromo-1-chloroisoquinoline (CAS NO.215453-51-3) is:

IUPAC Name: 7-Bromo-1-chloroisoquinoline
Canonical SMILES: C1=CC(=CC2=C1C=CN=C2Cl)Br
InChI: InChI=1S/C9H5BrClN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKey: UMSWWSIVPWVJOX-UHFFFAOYSA-N
Empirical Formula: C9H5BrClN
Molecular Weight: 242.4997 
XLogP3-AA: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Melting Point: 126-128 °C
Index of Refraction: 1.68
Molar Refractivity: 54.77 cm3
Molar Volume: 144.9 cm3
Surface Tension: 53.3 dyne/cm
Density: 1.673 g/cm3
Flash Point: 165.2 °C
Enthalpy of Vaporization: 57.05 kJ/mol
Boiling Point: 349.5 °C at 760 mmHg
Vapour Pressure: 9.45E-05 mmHg at 25 °C
Product Categories: Miscellaneous

Safety Profile

Safty information about 7-Bromo-1-chloroisoquinoline (CAS NO.215453-51-3) is:
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37:Wear suitable gloves.

Specification

 7-Bromo-1-chloroisoquinoline (CAS NO.215453-51-3), its Synonym is Isoquinoline, 7-bromo-1-chloro- .