1-(Dichloromethyl)-4-fluorobenzene

HCID 68005CAS 456-19-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(C(Cl)Cl)cc1
InChIKey
MFIOEEWGBMJNGG-UHFFFAOYSA-N
Molecular formula
C7H5Cl2F
Average molar mass
179.02 g/mol
Monoisotopic mass
177.97523374

Names & identifiers

Preferred name
1-(Dichloromethyl)-4-fluorobenzene
IUPAC
1-(dichloromethyl)-4-fluorobenzene
English name
4-FLUOROBENZAL CHLORIDE
Molecular formula
C7H5Cl2F
Molecular weight
179.02

Names & synonyms

456-19-91-(Dichloromethyl)-4-fluorobenzeneEINECS 207-258-5MFIOEEWGBMJNGG-UHFFFAOYSA-DTXSID50196563NSC 60716RefChem:427608DTXCID90119054207-258-5InChI=1/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H4-Fluorobenzal chloride4-Fluorobenzalchloride
Show more names
p-Fluorbenzalchlorid4-Fluorobenzalchloride98%4-FluorobenzalChloride>4-Fluorobenzalchloride,96%4-Fluorobenzal chloride 98%4-Fluoro-α,α-dichlorotolueneDichloromethy-4-fluorobenzene4-Fluoro-1-dichloromethylbenzene
1-Dichloromethyl-4-fluorobenzeneBenzene, 1-(dichloromethyl)-4-fluoro-MFCD00000832NSC-60716P-FLUOROBENZAL CHLORIDENSC60716p-Fluorobenzalchloride4-Fluorobenzal chloride???

Database identifiers

CAS
456-19-9
PubChem CID
68005
DTXSID
DTXSID50196563
UNII
CQ3Q39MJ4G
EC Number
207-258-5
Nikkaji
J196.164K

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point
81 · 81-83 °C15 mm Hg(lit.)
Density
1.332 g/mL · 1.332 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.528(lit.)
Flash point
195 °F · 195 °F
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Soluble), DMSO (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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

F
19
wgk
1
ridadr
UN 3265 8/PG 2
hs_code
2903998090
risk_code
20/21/22-34-36/37
Signal word
Danger

Chemistry & industry

Suppliers48 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

Related reactions

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