6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

HCID 2736346
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
123637-51-4
Standard SMILES
FC(F)(F)c1cc(Cl)c2cc(CBr)ccc2n1
InChIKey
SJBKLFYWXYFAGT-UHFFFAOYSA-N
Molecular formula
C11H6BrClF3N
Average molar mass
324.52 g/mol
Monoisotopic mass
322.93242363

Names & identifiers

Preferred name
6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
IUPAC
6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
English name
6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline
Molecular formula
C11H6BrClF3N
Molecular weight
324.52

Names & synonyms

6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline123637-51-4DTXSID70371294RefChem:306738DTXCID30322328MFCD001530796-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinolineQuinoline, 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)-6-Bromomethyl-4-chloro-2-trifluoromethyl-quinolineSCHEMBL4856866-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-1-azanaphthaleneAKOS015836035
Show more names
BUTTPARK 29\04-106-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline 95%6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline, 95+%
PS-9869SB72408DB-041738ST51041431G116836-Bromomethyl-4-chloro-2-(trifluoromethyl)-quinoline

Database identifiers

CAS
123637-51-4
PubChem CID
2736346
DTXSID
DTXSID70371294
EC Number
670-914-8
Nikkaji
J496.781J

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Melting point
119 °C · 119 °C
Boiling point
318.1 · 318.1±37.0 °C(Predicted)
Density
1.692 · 1.692±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
Solid
pka
-1.58 · -1.58±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)

Safety data

hs_code
2933998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,C
safety_code
26-36-45-36/37/39

Chemistry & industry

Suppliers21 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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