Basic information
- CAS
92-46-6- Standard SMILES
Cc1ccc2cc(Cl)ccc2n1- InChIKey
OCCIBGIEIBQGAJ-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.03452694
Names & identifiers
- Preferred name
- 6-Chloroquinaldine
- IUPAC
- 6-chloro-2-methylquinoline
- English name
- 6-Chloro-2-methylquinoline
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
6-Chloro-2-methylquinoline92-46-66-ChloroquinaldineDTXSID70238818RefChem:541986DTXCID20161309626-187-4Quinoline, 6-chloro-2-methyl-MFCD000517356-chloro-2-methyl-quinoline6-CHLORO-2-methyl QUINOLINE6-Chloro-2-methylquinoline, 97%
Show more names
6-Chloroquildine, 99%6-Chloro-2-methylquinoline >6-Chloro-2-methylquinoline 97%6-Chloro-2-methylquinoline,98+%6-CHLORO-2-METHYLQUINOLINE ISO 9001：2015 REACH
2-Methyl-6-chloroquinolineSTK396250SB67509AS-48060C3108CS-0113039F17611AMY11588
Database identifiers
- CAS
92-46-6- PubChem CID
- 135965
- DTXSID
DTXSID70238818- EC Number
- 626-187-4
- Nikkaji
- J4.656F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 94 · 94-98 °C (lit.)
- Boiling point
- 278.2 · 278.2±20.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 5.02 · 5.02±0.43(Predicted)
- color
- White to Light yellow
- Sensitive
- Light Sensitive
- InChI
- 1S/C10H8ClN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
- InChIKey
- OCCIBGIEIBQGAJ-UHFFFAOYSA-N
- SMILES
- Cc1ccc2cc(Cl)ccc2n1
- CAS DataBase Reference
- 92 · 92-46-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933.49.7000
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses6-Chloro-2-methylquinoline is used for laboratory research.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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