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Basic Information
CAS No.: 1125-80-0
Name: 3-METHYLISOQUINOLINE
Article Data: 32
Molecular Structure:
Molecular Structure of 1125-80-0 (3-METHYLISOQUINOLINE)
Formula: C10H9N
Molecular Weight: 143.188
Synonyms: NSC 4619;NSC 475;3-Methyl-isoquinoline;
EINECS: 214-412-5
Density: 1.076 g/cm3
Melting Point: 63-65 °C(lit.)
Boiling Point: 246 °C at 760 mmHg
Flash Point: 106.7 °C
Solubility: 919mg/L(20 oC)
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 12.89000
LogP: 2.54320
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  • 3-Methylisoquinoline

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    3-Methylisoquinoline

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Chemistry

Molecular Structure of Isoquinoline, 3-methyl- (CAS NO.1125-80-0):

IUPAC Name: 3-Methylisoquinoline
Canonical SMILES: CC1=CC2=CC=CC=C2C=N1
InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKey: FVVXWRGARUACNW-UHFFFAOYSA-N
Molecular Weight: 143.18516 [g/mol]
Molecular Formula: C10H9N
XLogP3: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 214-412-5 
Index of Refraction: 1.624
Molar Refractivity: 47.01 cm3
Molar Volume: 133 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.076 g/cm3
Flash Point: 106.7 °C
Enthalpy of Vaporization: 46.35 kJ/mol
Boiling Point: 246 °C at 760 mmHg
Vapour Pressure: 0.0436 mmHg at 25 °C
Melting Point: 63-65 °C(lit.)
Water Solubility: 418 mg/L at 25 °C
Classification Code: Mutation data 
Product Categories: Isoquinoline Derivertives; Building Blocks; Heterocyclic Building Blocks; Isoquinolines

Safety Profile

Safety Information of Isoquinoline, 3-methyl- (CAS NO.1125-80-0):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: NX2000000

Specification

 Isoquinoline, 3-methyl- (CAS NO.1125-80-0), its Synonyms are 3-Methylisoquinoline ; 3-Methyl-isoquinoline .