2-Chlorobenzaldehyde
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Basic information
- CAS
35913-09-8- Standard SMILES
O=Cc1ccccc1Cl- InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N- Molecular formula
- C7H5ClO
- Average molar mass
- 140.56 g/mol
- Monoisotopic mass
- 140.0028925
Names & identifiers
- Preferred name
- 2-Chlorobenzaldehyde
- IUPAC
- 2-chlorobenzaldehyde
- English name
- 2-Chlorobenzaldehyde
- Molecular formula
- C7H5ClO
- Molecular weight
- 140.57
Names & synonyms
2-Chlorobenzaldehyde89-98-5O-CHLOROBENZALDEHYDEBenzaldehyde, 2-chloro-Benzaldehyde, o-chloro-2-Chlorbenzaldehyd2-Clorobenzaldeideo-ChloorbenzaldehydeUSAF M-72-Chloorbenzaldehydeo-ChlorobenzenecarboxaldehydeDTXSID5024764
Show more names
ORTHO CHLORO BENZALDEHYDEOCBAOCADo-Chlorobenzaldehyde 2-Chlorobenzaldehydeusafm-7NSC 15347AKOS BBS-00003191
QHR24X1LXKNSC-15347DTXCID204764RefChem:855216201-956-3Chlorobenzaldehyde2-chloro-benzaldehydeMFCD00003304
Database identifiers
- CAS
35913-09-8、89-98-5- PubChem CID
- 6996
- DTXSID
DTXSID5024764- ChEMBL
CHEMBL1547989- UNII
- QHR24X1LXK
- EC Number
- 201-956-3
- Nikkaji
- J38.179I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 9 · 9-11 °C (lit.)
- Boiling point
- 209 · 209-215 °C (lit.)
- Density
- 1.248 g/mL · 1.248 g/mL at 25 °C (lit.)
- vapor density
- 4.84 · 4.84 (vs air)
- vapor pressure
- 1.27 mm · 1.27 mm Hg ( 50 °C)
- refractive index
- 20 · n20/D 1.566(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- Store in RT
- solubility
- 1.8 g/l · 1.8g/l
- form
- Liquid
- color
- Clear colorless to light yellow
- PH
- 2.9 · 2.9 (H2O)(saturated aqueous solution)
- Odor
- Penetrating odor
- Water Solubility
- 0.1 · 0.1-0.5 g/100 mL at 24 ºC
- Sensitive
- Air Sensitive
- BRN
- 385877 · 385877
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-9-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- CU5075000
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29130000
- Toxicity
- LD50 orally in Rabbit: 2160 mg/kg
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSkin Sens. 1
- Autoignition Temperature
- 746 °F
- Precautionary statements
- P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazardous Substances Data
- 89-98-5(Hazardous Substances Data)
Chemistry & industry
Applications
Uses2-Chlorobenzaldehyde has been used in generation of small focused library of diversely functionalized dihydropyrimidine derivatives via one-pot three-component Biginelli cyclocondensation of β-ketoesters, aldehydes and thioureas.
Uses2-Chlorobenzaldehyde can be used to make alcohols, acids, and dyes; used in the rubber, tanning, and paper industries; used as an intermediate for optical brighteners, agricultural chemicals, and pharmaceuticals.It can also be used to prepare triphenyl methane and related dyes, organic intermediate.
General Description2-chlorobenzaldehyde is a clear colorless to yellowish liquid. (NTP, 1992)
Preparation methods
Preparation2-Chlorobenzaldehyde is produced mainly by chlorination of 2-chlorotoluene to form 2-chlorobenzal chloride, which is then subjected to acid hydrolysis. Metal salts, such as iron(III) chloride, are used as catalysts. The hydrolysis can also be accomplished using formic acid without a catalyst.2-Chlorobenzaldehyde can also be produced by oxidation of 2-chlorobenzyl chloride with N-oxides of tertiary amines or with dilute nitric acid.https://pubchem.ncbi.nlm.nih.gov/compound/2-Chlorobenzaldehyde
Upstream & downstream products
Upstream raw materials
Related reactions
505 records
Compound notes
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