Product Name

  • Name

    3-METHYLISOQUINOLINE

  • EINECS 214-412-5
  • CAS No. 1125-80-0
  • Article Data32
  • CAS DataBase
  • Density 1.076 g/cm3
  • Solubility 919mg/L(20 oC)
  • Melting Point 63-65 °C(lit.)
  • Formula C10H9N
  • Boiling Point 246 °C at 760 mmHg
  • Molecular Weight 143.188
  • Flash Point 106.7 °C
  • Transport Information
  • Appearance
  • Safety 26-37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 1125-80-0 (3-METHYLISOQUINOLINE)
  • Hazard Symbols IrritantXi
  • Synonyms NSC 4619;NSC 475;3-Methyl-isoquinoline;
  • PSA 12.89000
  • LogP 2.54320

3-Methylisoquinoline Chemical Properties

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

3-Methylisoquinoline 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

3-Methylisoquinoline Specification

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

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