p-(Difluoromethoxy)benzaldehyde

HCID 2736986
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Basic information

CAS
73960-07-3
Standard SMILES
O=Cc1ccc(OC(F)F)cc1
InChIKey
ZWCXOJYJJINQGU-UHFFFAOYSA-N
Molecular formula
C8H6F2O2
Average molar mass
172.13 g/mol
Monoisotopic mass
172.03358575

Names & identifiers

Preferred name
p-(Difluoromethoxy)benzaldehyde
IUPAC
4-(difluoromethoxy)benzaldehyde
English name
4-(DIFLUOROMETHOXY)BENZALDEHYDE
Molecular formula
C8H6F2O2
Molecular weight
172.13

Names & synonyms

4-(Difluoromethoxy)benzaldehyde73960-07-3p-(Difluoromethoxy)benzaldehydeEINECS 277-653-5DTXSID30224696RefChem:857943DTXCID60147187277-653-54-difluoromethoxybenzaldehydeMFCD00042252benzaldehyde, 4-(difluoromethoxy)-P-DIFLUOROMETHOXYBENZALDEHYDE
Show more names
AKOS B006820AKOS BBS-00000693VITAS-BB TBB000651TIMTEC-BB SBB003837BENZALDEHYDE,4-(DIFLUOROMETHOXY)4-(Difluoromethoxy)benzaldehyde>4-(Difluoromethoxy)benzaldehyde98%4-(Difluoromethoxy)benzaldehyde 98%
4-difluoromethoxy benzaldehyde4-Difluoromethoxy-benzaldehydeWE2PLJ94SASCHEMBL607344SCHEMBL2172130ALBB-000217CL8351SBB003837

Database identifiers

CAS
73960-07-3
PubChem CID
2736986
DTXSID
DTXSID30224696
UNII
WE2PLJ94SA
EC Number
277-653-5
Nikkaji
J318.902C

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
222 °C · 222 °C (lit.)
Density
1.302 g/mL · 1.302 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.503(lit.)
Flash point
228 °F · 228 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29130000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-(Difluoromethoxy)benzaldehyde may be used for the preparation of 4-(4-difluoro-methoxy-phen-yl)-1,2,3,4,5,6,7,8-octa-hydro-quinazoline-2,5-dione, via one-pot three-component reaction with cyclo-hexane-1,3-dione and urea.

General Description4-(Difluoromethoxy)benzaldehyde is a p-difluoromethoxy substituted benzaldehyde.

Upstream & downstream products

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
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]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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