2-Chloro-3-(chloromethyl)-7-fluoroquinoline
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Basic information
- CAS
948291-38-1- Standard SMILES
Fc1ccc2cc(CCl)c(Cl)nc2c1- InChIKey
FEEYLYBSAMIXIV-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2FN
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.9861327
Names & identifiers
- Preferred name
- 2-Chloro-3-(chloromethyl)-7-fluoroquinoline
- IUPAC
- 2-chloro-3-(chloromethyl)-7-fluoroquinoline
- English name
- 2-Chloro-3-chloromethyl-7-fluoroquinoline
- Molecular formula
- C10H6Cl2FN
- Molecular weight
- 230.07
Names & synonyms
948291-38-12-chloro-3-(chloromethyl)-7-fluoroquinolineDTXSID10588985RefChem:258484DTXCID005397492-Chloro-3-chloromethyl-7-fluoroquinolineMFCD09787664SCHEMBL3578871FEEYLYBSAMIXIV-UHFFFAOYSA-NAB51936DA-26663CS-0458182
Show more names
2-Chloro-3-chloromethyl-8-fluoroquinolineQuinoline, 2-chloro-3-(chloromethyl)-7-fluoro-
2-Chloro-3-chloromethyl-7-fluoroquinoline, AldrichCPR2-Chloro-3-chloromethyl-7-fluoroquinoline, 948291-38-1, AGN-PC-01A9K1, CTK8E3896, ZINC11985085, AKOS009307862, AB51936, 2-chloro-3-(chloromethyl)-7-fluoroquinoline
Database identifiers
- CAS
948291-38-1- PubChem CID
- 17039799
- DTXSID
DTXSID10588985- EC Number
- 804-427-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 335.7 · 335.7±37.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- form
- solid
- pka
- -1.72 · -1.72±0.50(Predicted)
- InChI
- 1S/C10H6Cl2FN/c11-5-7-3-6-1-2-8(13)4-9(6)14-10(7)12/h1-4H,5H2
- InChIKey
- FEEYLYBSAMIXIV-UHFFFAOYSA-N
- SMILES
- Fc1ccc2cc(CCl)c(Cl)nc2c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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