CAS 77771-02-9 3-Bromo-4-fluorobenzaldehyde (HCID 173604)

Names & identifiers

Preferred name: 3-Bromo-4-fluorobenzaldehyde
IUPAC: 3-bromo-4-fluorobenzaldehyde
English name: 3-Bromo-4-fluorobenzaldehyde
Molecular formula: C7H4BrFO
Molecular weight: 203.01

Names & synonyms

3-Bromo-4-fluorobenzaldehyde77771-02-94-Fluoro-3-bromobenzaldehydeBenzaldehyde, 3-bromo-4-fluoro-DTXSID6044989EINECS 278-764-1DTXCID4024989O61072992ORefChem:498644278-764-1MFCD000421863-Bromo-fluorobenzyldehyde

Show more names

3-Bromo-4-fluorobenzLABOTEST-BB LT011433253-Brom-4-fluorbenzaldehyd3-Bromo-4-fluorobenzaldehyde98%3-Bromo-4-fluorobenzaldehyde,99%3-Bromo-4-fluorobenzaldehyde 98%3-Bromo-4-fluorobenzaldehyde >

5-bromo-4-fluorobezaldehyde3-bromo-4-flouro-benzaldehyde3-bromo-4-fluoro benzaldehydeCS-B1308SY001679CAS-77771-02-9Z1044895263-bromo-4-fluoro-benzaldehyde

Database identifiers

CAS: 77771-02-9
PubChem CID: 173604
DTXSID: DTXSID6044989
ChEMBL: CHEMBL3183572
UNII: O61072992O
EC Number: 278-764-1
Nikkaji: J319.687I

Properties

Computed structural properties

XLogP: 2.2
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

Melting point: 31 · 31-33 °C (lit.)
Boiling point: 138 · 138-139 °C/2.5 mmHg (lit.)
Density: 1.6698 · 1.6698 (rough estimate)
refractive index: 1.574 · 1.574
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Low Melting Solid
color: White to light yellow
Water Solubility: INSOLUBLE
Sensitive: Air Sensitive
BRN: 5806226 · 5806226
InChI: InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey: FAHZIKXYYRGSHF-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C(Br)=C1
CAS DataBase Reference: 77771 · 77771-02-9(CAS DataBase Reference)
FDA UNII: 61072992 O · O61072992O
EPA Substance Registry System: 3 · Benzaldehyde, 3-bromo-4-fluoro- (77771-02-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 301 · P301+P312+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 2 · 2
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29130000 · 29130000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (84%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
tsca: TSCA listed
hs_code: 29130000
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P312+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 3-bromo-4-fluoro-: ACTIVE

Applications · 2 items

Uses3-Bromo-4-fluorobenzaldehyde can be used for pest control.

Uses3-Bromo-4-fluorobenzaldehyde was used in the synthesis of 4-fluoro-3-phenoxybenzoic acid-glycine. It was also used in the synthesis of Schiff bases of 4-nitroaniline/ 2,4-dinitroaniline/3,4-dichloroaniline/4-methoxy-3-nitro aniline via ultrasound irradiation method.