Basic information
- CAS
612-60-2- Standard SMILES
Cc1ccc2cccnc2c1- InChIKey
KDYVCOSVYOSHOL-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Overview
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
Names & identifiers
- Preferred name
- 7-Methylquinoline
- IUPAC
- 7-methylquinoline
- English name
- 7-Methylquinoline
- Molecular formula
- C10H9N
- Molecular weight
- 143.19
Names & synonyms
Show more names
Database identifiers
- CAS
612-60-2- PubChem CID
- 11927
- DTXSID
DTXSID5025657- ChEMBL
CHEMBL1322524- UNII
- EOW995K43C
- EC Number
- 210-316-2
- Nikkaji
- J842G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Physical Description
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
Clear yellow liquid; mp = 35-38 deg C; [CAMEO] Viscous liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 35 · 35-37 °C(lit.)
- Boiling point
- 258 °C · 258 °C(lit.)
- Density
- 1.061 · 1.061
- refractive index
- 1.607 to · 1.6070 to 1.6210
- Flash point
- 230 °F · >230 °F
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 5.44 · 5.44±0.14(Predicted)
- form
- Viscous Liquid
- color
- Off-White to Pale Beige Low-Melting
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 20 ºC
- BRN
- 110317 · 110317
- Stability
- Stable. Incompatible with strong oxidizing agents, strong acids. May be light sensitive.
- InChI
- 1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3
- InChIKey
- KDYVCOSVYOSHOL-UHFFFAOYSA-N
- SMILES
- Cc1ccc2cccnc2c1
- CAS DataBase Reference
- 612 · 612-60-2(CAS DataBase Reference)
- FDA UNII
- 995 K43C · EOW995K43C
- NIST Chemistry Reference
- 7 · Quinoline, 7-methyl-(612-60-2)
- EPA Substance Registry System
- 7 · 7-Methylquinoline (612-60-2)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- RTECS
- 560000 · VC0560000
- TSCA
- TSCA listed
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Reactivity Profile
7-METHYLQUINOLINE may be sensitive to exposure to light. May react vigorously with strong oxidizing agents and strong acids (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC0560000
- hs_code
- 29334900
- risk_code
- 37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
Chemistry & industry
Uses & manufacturing
Applications
Uses7-methylquinoline has been bioassayed as tumor initiator on the skin of Sencar mice.
General Description7-Methylquinoline is a reagent used in the preparation of diarylmethylpiperazines as potent opioid receptor agonists with improved side effects. Also used in the preparation of novel pyrazine compounds derived from 2-phenylquinolin-7-yl which act as potent insulin-like growth factor-I receptor inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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