2-Bromo-4-fluorobenzonitrile

HCID 118939CAS 36282-26-5
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(F)cc1Br
InChIKey
MNNDREXLRLDWEY-UHFFFAOYSA-N
Molecular formula
C7H3BrFN
Average molar mass
200.01 g/mol
Monoisotopic mass
198.94328942

Names & identifiers

Preferred name
2-Bromo-4-fluorobenzonitrile
IUPAC
2-bromo-4-fluorobenzonitrile
English name
2-Bromo-4-fluorobenzonitrile
Molecular formula
C7H3BrFN
Molecular weight
200.01

Names & synonyms

2-Bromo-4-fluorobenzonitrile36282-26-5EINECS 252-949-7DTXSID40189823RefChem:85727DTXCID00112314252-949-74-fluoro-2-bromobenzonitrile2-bromo-4-fluoro-benzonitrileBenzonitrile, 2-bromo-4-fluoro-MFCD006729242-bromo-4-fluorobenzenecarbonitrile
Show more names
Bromo-4-fluorobenzonitrile2-Bromo-4-fluorobenzonitrile98%2-Bromo-4-fluorobenzonitrile >2-Bromo-4-fluorobenzonitrile 98%
SCHEMBL522042-bromo-4-fluoro benzonitrile2-Bromo-4-fluorobenzonitrile, 97%SBB063649AKOS005255012AB06855AC-4028CS-W010496

Database identifiers

CAS
36282-26-5
PubChem CID
118939
DTXSID
DTXSID40189823
EC Number
252-949-7
Nikkaji
J319.622D

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
77 · 77-78°C
Boiling point
262.4 · 262.4±25.0 °C(Predicted)
Density
1.69 · 1.69±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.7%): 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)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Safety data

wgk
3
ridadr
3439
hs_code
29269090
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses2-Bromo-4-fluorobenzonitrile is used as a starting material to prepare 3-benzoyl-4-bromo-2-fluorobenzonitrile via metalation with tmpZnCl·LiCl and subsequent benzoylation[3]. 2-Bromo-4-fluorobenzonitrile serves as a model substrate for photodriven dehalogenation and undergoes light-activated reductive dehalogenation with anion radical materials such as DPBT−• and reduced MOF structures[4].

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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Linked notes

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