o-Fluorobenzaldehyde

HCID 67970CAS 446-52-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccccc1F
InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N
Molecular formula
C7H5FO
Average molar mass
124.11 g/mol
Monoisotopic mass
124.03244294

Names & identifiers

Preferred name
o-Fluorobenzaldehyde
IUPAC
2-fluorobenzaldehyde
English name
2-Fluorobenzaldehyde
Molecular formula
C7H5FO
Molecular weight
124.11

Names & synonyms

2-Fluorobenzaldehyde446-52-6o-FluorobenzaldehydeBenzaldehyde, 2-fluoro-Benzaldehyde, o-fluoro-EINECS 207-171-27ZX20DXB9ZNSC 66829BRN 0507155NSC-66829DTXSID80220304-07-00-00559 (Beilstein Handbook Reference)
Show more names
Fluorobenzaldehyde1AKOS BBS-000031502-Fluorbenzaldehyd2-FLUOROBENZALDHYDE2-fluoro-benzaldehyd2-FluorobenzaldethydeLABOTEST-BB LT00941219
RefChem:855262Benzaldehyde, o-fluoro-(8CI)DTXCID102030207-171-2InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5ortho-FluorobenzaldehydeMFCD00003302fluorobenzaldehyde

Database identifiers

CAS
446-52-6
PubChem CID
67970
DTXSID
DTXSID8022030
ChEMBL
CHEMBL4084647
UNII
7ZX20DXB9Z
EC Number
207-171-2
Nikkaji
J30.717C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index941.5；947.3；931

Physicochemical properties

Melting point
44.5 °C · −44.5 °C(lit.)
Boiling point
90 · 90-91 °C46 mm Hg(lit.)
Density
1.178 g/mL · 1.178 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.521(lit.)
Flash point
131 °F · 131 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.2%)

Regulatory information

Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
10-23
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
CU6140000
ridadr
UN 1989 3/PG 3
hs_code
29130000

Chemistry & industry

Applications · 1 item

Uses2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

334 records
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Linked notes

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