3-Bromo-4-(difluoromethyl)pyridine

HCID 640481CAS 114468-05-2
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)c1ccncc1Br
InChIKey
KCMMLUVZVBBEFO-UHFFFAOYSA-N
Molecular formula
C6H4BrF2N
Average molar mass
208 g/mol
Monoisotopic mass
206.94952

Names & identifiers

Preferred name
3-Bromo-4-(difluoromethyl)pyridine
IUPAC
3-bromo-4-(difluoromethyl)pyridine
English name
Pyridine, 3-bromo-4-(difluoromethyl)- (9CI)
Molecular formula
C6H4BrF2N
Molecular weight
208

Names & synonyms

3-bromo-4-(difluoromethyl)pyridine114468-05-2pyridine, 3-bromo-4-(difluoromethyl)-DTXSID70348744RefChem:93151DTXCID00299816802-569-8InChI=1/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6MFCD18257232Pyridine, 3-bromo-4-(difluoromethyl)- (9CI)SCHEMBL3782423TQU0464
Show more names
3-Bromo-4-(difluoromethyl)pyridine 95%
3-bromo-4-difluoromethyl-pyridineAKOS005259970AT12861SB85605MS-20237SY265765DB-366117CS-0100044

Database identifiers

CAS
114468-05-2
PubChem CID
640481
DTXSID
DTXSID70348744
EC Number
802-569-8

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

storage temp.
2 · 2-8°C
form
liquid
Appearance
Colorless to light yellow Liquid
InChI
1S/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H
InChIKey
KCMMLUVZVBBEFO-UHFFFAOYSA-N
UNSPSC Code
12352100 · 12352100

Safety & regulation

Safety data

wgk
3
hs_code
2933399990
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Suppliers28 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

Loading…