Basic information
- CAS
18529-01-6- Standard SMILES
Cc1cc(Cl)c2cc(F)ccc2n1- InChIKey
GMMVVJJBQBYMNZ-UHFFFAOYSA-N- Molecular formula
- C10H7ClFN
- Average molar mass
- 195.62 g/mol
- Monoisotopic mass
- 195.0251051
Names & identifiers
- Preferred name
- 4-Chloro-6-fluoro-2-methylquinoline
- IUPAC
- 4-chloro-6-fluoro-2-methylquinoline
- English name
- 4-CHLORO-6-FLUORO-2-METHYLQUINOLINE
- Molecular formula
- C10H7ClFN
- Molecular weight
- 195.62
Names & synonyms
4-Chloro-6-fluoro-2-methylquinoline18529-01-6Quinoline, 4-chloro-6-fluoro-2-methyl-J4H7RKB7PT4-CHLORO-6-FLUOROQUINALDINEEINECS 242-403-6DTXSID00171769RefChem:98485DTXCID7094260242-403-6MFCD00272332UNII-J4H7RKB7PT
Show more names
SCHEMBL4250865BBL009950SBB0792494-chloro-6-fluoro-2-methyl-quinolineAKOS002663686AB05604AS-40658BP-10901
Database identifiers
- CAS
18529-01-6- PubChem CID
- 87694
- DTXSID
DTXSID00171769- UNII
- J4H7RKB7PT
- EC Number
- 242-403-6
- Nikkaji
- J222.234E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 269.9 · 269.9±35.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.7 · 3.70±0.50(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C10H7ClFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3
- InChIKey
- GMMVVJJBQBYMNZ-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(F)=CC=2)C(Cl)=CC=1C
- CAS DataBase Reference
- 18529 · 18529-01-6(CAS DataBase Reference)
- FDA UNII
- 4 H7RKB7PT · J4H7RKB7PT
- 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
- HS Code
- 2933491090 · 2933491090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- hs_code
- 2933491090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Chloro-6-fluoro-2-methylquinoline react with 2,6-Dinitro-4-trifluormethylnatriumphenolat, and obtain the 4-(2,6-dinitro-4-trifluoromethyl-phenoxy)-6-fluoro-2-methyl-quinoline.
Suppliers53 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
4 records
Compound notes
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