p-(Trifluoromethoxy)benzaldehyde (HCID 69573)

Names & identifiers

Preferred name: p-(Trifluoromethoxy)benzaldehyde
IUPAC: 4-(trifluoromethoxy)benzaldehyde
English name: 4-(Trifluoromethoxy)benzaldehyde
Molecular formula: C8H5F3O2
Molecular weight: 190.12

Names & synonyms

4-(Trifluoromethoxy)benzaldehyde659-28-9p-(Trifluoromethoxy)benzaldehydeEINECS 211-531-4DTXSID60216105RefChem:857959DTXCID20138596211-531-44-trifluoromethoxybenzaldehydep-trifluoromethoxybenzaldehydeBenzaldehyde, 4-(trifluoromethoxy)-MFCD00041530

Show more names

uoromethoxy)benzaLPretomanid Impurity 3α,α,α-trifluoroanisaldehyde4-trifluoromethoxylbenzaldehyde-(Trifluoromethoxy)benzaldehydeOn trifluoroMethoxy benzaldehyde4-Bromo-3-chloro-3-fluoroanilineFor trifluoromethoxy benzaldehyde

4-Trifluoromethoxy-benzaldehydeA,A,A-TrifluoroanisaldehydeSCHEMBL971144-tri-fluoromethoxybenzaldehyde4-(Trifluoromethoxy)benzaldehyde #4-(Trifluoromethoxy)benzaldehyde, 96%AC-3865PS-8383

Database identifiers

CAS: 659-28-9
PubChem CID: 69573
DTXSID: DTXSID60216105
ChEMBL: CHEMBL4545827
EC Number: 211-531-4
Nikkaji: J205.957F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point: 93 °C27 · 93 °C27 mm Hg(lit.)
Density: 1.331 g/mL · 1.331 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.458(lit.)
Flash point: 159 °F · 159 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: Liquid
Specific Gravity: 1.331 · 1.331
color: Clear colorless to pale yellow-green
Sensitive: Air Sensitive
BRN: 1949135 · 1949135
InChI: InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: XQNVDQZWOBPLQZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC(F)(F)F)C=C1
CAS DataBase Reference: 659 · 659-28-9(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Benzaldehyde, 4-(trifluoromethoxy)-(659-28-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H227
Precautionary statements: 210 e-P280a-P405-P501a-P261-P305+P351+P338 · P210e-P280a-P405-P501a-P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36/38-22
Safety Statements: 26 · 26-36/37/39-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29130000 · 29130000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29130000
risk_code: 36/37/38-36/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H227
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210e-P280a-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:new azo dyes containing of 5(4H)-oxazolone ring2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole(E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.

General Description4-(Trifluoromethoxy)benzaldehyde (p-(trifluoromethoxy)benzaldehyde) is an aromatic aldehyde. It participates in the synthesis of 4,5-dihydro-4-(4-trifluoromethoxyphenyl)pyrrolo[1,2-a]quinoxaline.