Basic information
- CAS
635-80-3- Standard SMILES
Cc1ccc2cc(C(=O)O)ccc2n1- InChIKey
IZONZQFTYGVOOO-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2-Methylquinoline-6-carboxylic acid
- IUPAC
- 2-methylquinoline-6-carboxylic acid
- English name
- 2-Methyl-6-quinolinecarboxylic acid
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2-methylquinoline-6-carboxylic acid635-80-3DTXSID10345434RefChem:476265DTXCID00296507808-171-02-Methyl-6-quinolinecarboxylic acidMFCD007485046-Quinolinecarboxylic acid, 2-methyl-2-Methylquinoline-6-carboxylicacidOprea1_304328Oprea1_312688
Show more names
Quinaldine-6-carboxylic acid2-Methyl-6-QuinolinecarboxylicAci6-Quinolinecarboxylicacid, 2-Methyl-2-Methylquinoline-6-carboxylicacid,97%2-Methylquinoline-6-carboxylic Acid >2-Methylquinoline-6-carboxylic acid 99%2-Methyl-6-quinolinecarboxylic acid ,97%2-Methyl-6-quinolinecarboxylic acid ISO 9001：2015 REACH
6-carboxy-2-methyl quinolineSCHEMBL999160orb3031320SCHEMBL27960111SCHEMBL304642992-methylquinoline6-carboxylic acidFr12571SBB053291
Database identifiers
- CAS
635-80-3- PubChem CID
- 604483
- DTXSID
DTXSID10345434- EC Number
- 808-171-0
- Nikkaji
- J135.620H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Boiling point
- 347.6 · 347.6±27.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.13 · 3.13±0.30(Predicted)
- form
- Solid
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14)
- InChIKey
- IZONZQFTYGVOOO-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(C(O)=O)=CC=2)C=CC=1C
- CAS DataBase Reference
- 635 · 635-80-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 29334900 · 29334900
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (60%)
Safety data
- hs_code
- 29334900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Methylquinoline-6-carboxylic Acid is a preparation of arylpyrazolopyridine derivative as monoacylglycerol lipase modulators.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
河北凡博医药科技有限公司15588346797
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Related reactions
1,475 records
Compound notes
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