Basic information
- CAS
59611-55-1- Standard SMILES
Fc1ccc2nc(C(F)(F)F)cc(Cl)c2c1- InChIKey
BLIVSENQFPJREV-UHFFFAOYSA-N- Molecular formula
- C10H4ClF4N
- Average molar mass
- 249.59 g/mol
- Monoisotopic mass
- 248.9968395
Names & identifiers
- Preferred name
- 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline
- IUPAC
- 4-chloro-6-fluoro-2-(trifluoromethyl)quinoline
- English name
- 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline
- Molecular formula
- C10H4ClF4N
- Molecular weight
- 249.59
Names & synonyms
4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-1DTXSID60371465RefChem:98484DTXCID80322499671-984-2MFCD00276579SCHEMBL15363394-Chloro-6-fluoro-2-trifluoromethylquinoline4-Chloro-6-fluoro-2-(triluoromethyl)quinolineAKOS0091588363-Bromo-6-nitroquinolin-4-ylamine
Show more names
BUTTPARK 95\04-22Quinoline, 4-chloro-6-fluoro-2-(trifluoromethyl)-4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline97%4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline 97%4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline, 95+%JR-8832, 4-Chloro-6-fluoro-2-(triluoromethyl)quinoline, 97%
AMY18036SBB100632AC-7390CCG-356206PS-7497SB68825SY005995DB-053426
Database identifiers
- CAS
59611-55-1- PubChem CID
- 2736591
- DTXSID
DTXSID60371465
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 78 · 78-81°C
- Boiling point
- 240.5 · 240.5±35.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.89 · -1.89±0.50(Predicted)
- form
- solid
- color
- Off White
- CAS DataBase Reference
- 59611 · 59611-55-1(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36/37/39-37/39-45
- RIDADR
- 2811 · UN2811
- Hazard Note
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
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 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. 3 (33.3%)
Safety data
- ridadr
- UN2811
- hs_code
- 2934999090
- risk_code
- 36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-37/39-45
- hazard_class
- 6.1
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers31 total
韶远科技(上海)有限公司4000665055 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Related reactions
8 records
Compound notes
Loading…