5-Bromo-2-fluorobenzaldehyde (HCID 736327)

Names & identifiers

Preferred name: 5-Bromo-2-fluorobenzaldehyde
IUPAC: 5-bromo-2-fluorobenzaldehyde
English name: 5-Bromo-2-fluorobenzaldehyde
Molecular formula: C7H4BrFO
Molecular weight: 203.01

Names & synonyms

5-Bromo-2-fluorobenzaldehyde93777-26-5MMFGGDVQLQQQRX-UHFFFAOYSA-DTXSID40918074RefChem:102125DTXCID501347028298-056-6EINECS 298-056-6InChI=1/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H2-fluoro-5-bromobenzaldehydeMFCD000707555-bromo-2-fluoro-benzaldehyde

Show more names

AKOS BBS-00003261LABOTEST-BB LT011433035-Bromo-2-fluorobenzaldehyd5-Bromo-2-fluorobenzaldehyde98%5-Bromo-2-fluorobenzaldehyde 98%5-Bromo-2-fluorobenzaldehyde >

2-fluoro-5-bromo benzaldehydeBenzaldehyde, 5-bromo-2-fluoro-3-bromo-6-fluorobenzaldehyde5-bromo-2-fluoro benzaldehydeSCHEMBL18699Benzaldehyde, 5-bromo-22-fluoro-5-bromo-benzaldehyde3-bromo-6-fluoro-benzaldehyde

Database identifiers

CAS: 93777-26-5
PubChem CID: 736327
DTXSID: DTXSID40918074
EC Number: 298-056-6
Nikkaji: J348.675C

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: 58 · 58-62°C
Boiling point: 230 °C · 230 °C (lit.)
Density: 1.71 g/mL · 1.71 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.57(lit.)
Flash point: 229 °F · 229 °F
storage temp.: 2 · 2-8°C
form: powder to lump to clear liquid
Specific Gravity: 1.71 · 1.710
color: White or Colorless to Light yellow
Water Solubility: INSOLUBLE
Sensitive: Air Sensitive
BRN: 7632798 · 7632798
InChI: InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey: MMFGGDVQLQQQRX-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(Br)=CC=C1F
CAS DataBase Reference: 93777 · 93777-26-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
Risk Statements: 36 · 36/37/38
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 51 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
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
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

Uses5-Bromo-2-fluorobenzaldehyde is used for the preparation of benzimidazole derivatives as inhibitors of leukotriene production.

Upstream & downstream products

Upstream raw materials

Downstream products

5-Bromo-2-fluorocinnamic acid 5-Bromo-2-fluorobenzyl alcohol 5-Bromo-2-(4-methylpiperazin-1-yl)-benzaldehyde 5-BroMo-2-(diMethylaMino)benzaldehyde 5-BroMobenzothiophene-2-carboxylic Acid Methyl Ester 4-Bromo-2-difluoromethyl-1-fluorobenzene (5-bromo-2-fluorophenyl)(phenyl)methanol Benzaldehyde, 5-bromo-2-mercapto-Benzenemethanol, 5-bromo-2-fluoro-α-propyl-5-BroMo-2-(pyrrolidin-1-yl)benzaldehyde 5-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde

Suppliers50 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [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]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

286 records

New reaction record

HRID 2779As reactantuspto-grants-1998_03

HRID 9030As reactantuspto-grants-2006_08

HRID 9031As reactantuspto-grants-2006_08

HRID 51588As reactantuspto-grants-2004_03

HRID 80144As reactantuspto-grants-2014_09

HRID 87519As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 94294As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101006As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information