8-Bromo-4-chloro-2-(trifluoromethyl)quinoline

HCID 628370
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Basic information

CAS
655235-61-3
Standard SMILES
FC(F)(F)c1cc(Cl)c2cccc(Br)c2n1
InChIKey
KKGSBQKOZKBRKL-UHFFFAOYSA-N
Molecular formula
C10H4BrClF3N
Average molar mass
310.5 g/mol
Monoisotopic mass
308.91677

Names & identifiers

Preferred name
8-Bromo-4-chloro-2-(trifluoromethyl)quinoline
IUPAC
8-bromo-4-chloro-2-(trifluoromethyl)quinoline
English name
8-Bromo-4-chloro-2-(trifluoromethyl)quinoline
Molecular formula
C10H4BrClF3N
Molecular weight
310.5

Names & synonyms

8-Bromo-4-chloro-2-(trifluoromethyl)quinoline655235-61-3DTXSID00347942RefChem:311830DTXCID60299014MFCD00174293Quinoline, 8-bromo-4-chloro-2-(trifluoromethyl)-655285-61-3AC-7392SCHEMBL3631708AKOS009158652PS-7084
Show more names
BUTTPARK 93\04-448-Bromo-4-chloro-2-(trifluoromethyl)-1-azanaphthalene
SB73069SY0059998-bromo-4-chloro-2-trifluoromethylquinolineDB-054823CS-0155819Quinoline, 8-bromo-4-chloro-2-trifluoromethyl-8-Bromo-4-chloro-2-(trifluoromethyl)quinoline #F321496

Database identifiers

CAS
655235-61-3
PubChem CID
628370
DTXSID
DTXSID00347942
EC Number
182-816-8

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
16

Physicochemical properties

Melting point
71 · 71-72°C
Boiling point
291.8 · 291.8±35.0 °C(Predicted)
Density
1.74 · 1.740±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-3.88 · -3.88±0.50(Predicted)
Appearance
White to light yellow Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code
2933499090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers28 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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