CAS 85070-48-0 3-Chloro-2-fluorobenzaldehyde (HCID 736335)

Names & identifiers

Preferred name: 3-Chloro-2-fluorobenzaldehyde
IUPAC: 3-chloro-2-fluorobenzaldehyde
English name: 3-Chloro-2-fluorobenzaldehyde
Molecular formula: C7H4ClFO
Molecular weight: 158.56

Names & synonyms

3-Chloro-2-fluorobenzaldehyde85070-48-0DTXSID80352998YAOZCMANASAVFN-UHFFFAOYSA-RefChem:93395DTXCID70304062617-667-4InChI=1/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H2-Fluoro-3-chlorobenzaldehydeMFCD01631571Benzaldehyde, 3-chloro-2-fluoro-2-fluoro(chloro)benzaldehyde

Show more names

TIMTEC-BB SBB0039873-Chloro-2-fluorobenzaldehvd3-Chloro-2-FlourobenzaldehydeBenzaldehyde,3-chloro-2-fluoro-3-Chloro-2-fluorobenzaldehyde97%3-Chloro-2-fluorobenzaldehyde >3-Chloro-2-fluorobenzaldehyde 97%13C6]-3-Chloro-2-fluorobenzaldehyde

3-chloro-2-fluoro-benzaldehyde3-chloro-2-fluoro-benzoaldehydeBBL036949AB09379AC-2299BP-13336SY0149502-fluoro-3-chloro-benzaldehyde

Database identifiers

CAS: 85070-48-0
PubChem CID: 736335
DTXSID: DTXSID80352998
EC Number: 617-667-4
Nikkaji: J2.327.183D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Boiling point: 214 °C · 214 °C (lit.)
Density: 1.35 g/mL · 1.35 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.545(lit.)
Flash point: 186 °F · 186 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: clear liquid
color: Light orange to Yellow to Green
Sensitive: Air Sensitive
BRN: 5861249 · 5861249
InChI: InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey: YAOZCMANASAVFN-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(Cl)=C1F
CAS DataBase Reference: 85070 · 85070-48-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29130000 · 29130000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye 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 48 reports by companies from 8 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: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Chloro-2-fluorobenzaldehyde is an intermediate used to synthesize small-molecule inhibitors of MDM2-p53 interaction as antitumor agents. It is also used to prepare flavonoid derivatives as selective neuromedin U 2 receptor agonists for obesity treatment.

General Description3-Chloro-2-fluorobenzaldehyde is a fluorinated benzaldehyde derivative.