Basic information
- CAS
61072-56-8- Standard SMILES
O=Cc1ccc(Cl)cc1F- InChIKey
UVGYSEIWAOOIJR-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO
- Average molar mass
- 158.56 g/mol
- Monoisotopic mass
- 157.99347065
Names & identifiers
- Preferred name
- 4-Chloro-2-fluorobenzaldehyde
- IUPAC
- 4-chloro-2-fluorobenzaldehyde
- English name
- 4-Chloro-2-fluorobenzaldehyde
- Molecular formula
- C7H4ClFO
- Molecular weight
- 158.56
Names & synonyms
4-Chloro-2-fluorobenzaldehyde61072-56-8DTXSID40369284UVGYSEIWAOOIJR-UHFFFAOYSA-RefChem:98364DTXCID90320320642-855-8InChI=1/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H2-Fluoro-4-chlorobenzaldehydeBenzaldehyde, 4-chloro-2-fluoro-MFCD00143282SCHEMBL155661
Show more names
3-Fluoro-4-formylchlorobenzeneTIMTEC-BB SBB0039853-Bromo-6-fluoroacetophenone4-Chloro-2-fluorobenzaldehyde97%4-Chloro-2-fluorobenzaldehyde >4-Chloro-2-fluorobenzaldehyde 97%4-Chloro-2-fluorobenzaldehyde,99%
4-chloro-2-fluoro-benzaldehydeBBL028278AKOS005063852CS-W007528AC-3827PS-8797EN300-126763Z1079442614
Database identifiers
- CAS
61072-56-8- PubChem CID
- 2724908
- DTXSID
DTXSID40369284- UNII
- N293L6WXJ4
- EC Number
- 642-855-8
- Nikkaji
- J829.241H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 58 · 58-61 °C
- Boiling point
- 118 · 118-120 C
- Density
- 1.331 · 1.3310 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Crystals or Powder
- color
- White to yellow-beigeor
- Water Solubility
- Insoluble
- Sensitive
- Air Sensitive
- BRN
- 3537705 · 3537705
- InChI
- InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
- InChIKey
- UVGYSEIWAOOIJR-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(Cl)C=C1F
- CAS DataBase Reference
- 61072 · 61072-56-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
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 10 reports by companies from 6 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
- tsca
- T
- hs_code
- 29130000
- risk_code
- 36/37/38-20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 37/39-26-36-37
- hazard_class
- IRRITANT, AIR SENSITIVE
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Chloro-2-fluorobenzaldehyde is used as pharmaceutical intermediates.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [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]
上海策嵘生物科技有限公司[email protected]
上海赫文斯化工有限公司
Related reactions
43 records
Compound notes
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