ChemicalBook--->CAS DataBase List--->89-98-5

89-98-5

89-98-5 Structure

89-98-5 Structure
IdentificationMore
[Name]

2-Chlorobenzaldehyde
[CAS]

89-98-5
[Synonyms]

2-CHLOROBENZALDEHYDE
AKOS BBS-00003191
OCAD
O-CHLOROBENZALDEHYDE
o-Chlorobenzenecarboxyaldehyde
2-chloorbenzaldehyde
2-Chlorbenzaldehyd
2-chloro-benzaldehyd
2-Clorobenzaldeide
Benzaldehyde, o-chloro-
Benzaldehyde,2-chloro-
-Chloroformylbenzene
o-Chloorbenzaldehyde
o-Chlor-benzaldehyd
o-chloro-benzaldehyd
o-Chlorobenzenecarboxaldehyde
USAF m-7
usafm-7
o-Chlorobenzaldehyde 2-Chlorobenzaldehyde
ORTHO CHLORO BENZALDEHYDE
[EINECS(EC#)]

201-956-3
[Molecular Formula]

C7H5ClO
[MDL Number]

MFCD00003304
[Molecular Weight]

140.57
[MOL File]

89-98-5.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to brown liquid
[Melting point ]

9-11 °C (lit.)
[Boiling point ]

209-215 °C (lit.)
[density ]

1.248 g/mL at 25 °C(lit.)
[vapor density ]

4.84 (vs air)
[vapor pressure ]

1.27 mm Hg ( 50 °C)
[refractive index ]

n20/D 1.566(lit.)
[Fp ]

190 °F
[storage temp. ]

Store in RT
[solubility ]

1.8g/l
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Odor]

Penetrating odor
[PH]

2.9 (H2O)(saturated aqueous solution)
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strong reducing agents. Moisture and light-sensitive.
[Water Solubility ]

0.1-0.5 g/100 mL at 24 ºC
[Sensitive ]

Air Sensitive
[BRN ]

385877
[InChI]

1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
[InChIKey]

FPYUJUBAXZAQNL-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1ccccc1Cl
[LogP]

2.44 at 25℃
[CAS DataBase Reference]

89-98-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde, 2-chloro-(89-98-5)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

89-98-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 3
[WGK Germany ]

1
[RTECS ]

CU5075000
[F ]

8-9-23
[Autoignition Temperature]

746 °F
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29130000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1
[Safety Profile]

Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Cl-. See also ALDEHYDES and CHLORIDES.
[Hazardous Substances Data]

89-98-5(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 2160 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chlorine-->Zinc chloride-->Ferric chloride-->Dichloroethane-->Mercury-->2-Chlorotoluene-->2-Chlorobenzyl chloride-->2-Chlorobenzotrichloride-->Benzal chloride-->3-Chlorotoluene-->3-Chlorobenzal chloride
[Preparation Products]

2-[4-(tert-Butyl)phenoxy]-5-nitrobenzaldehyde-->Thianaphthene-2-carboxylic acid-->2-Chloro-6-methylbenzaldehyde-->Clofentezine-->2-Chloro-5-nitrobenzaldehyde-->Amlodipine-->3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride-->3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid-->ALIZARIN GREEN-->1-(2-chlorophenyl)-N-[(2-chlorophenyl)methylideneamino]methanimine-->2-Chlorobenzaloxime-->1-Chloro-2-ethynylbenzene-->Tulobuterol-->N,N-bis(2-chlorobenzyl)amine-->1-Chloro-7-methylnaphthalene-->2-(2-chlorophenyl)-4,6-diphenyl-1,3,5-triazine-->2-Chlorobenzylamine-->ALIZARIN GREEN-->Benzenamine, 4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-, hydrochloride (1:1)
Hazard InformationBack Directory
[General Description]

Clear colorless to yellowish liquid.
[Reactivity Profile]

2-CHLOROBENZALDEHYDE(89-98-5) reacts with iron and strong oxidizers, strong bases and strong reducing agents.
[Air & Water Reactions]

This chemical is moisture and light sensitive. Slightly water soluble.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

colourless to brown liquid
[Uses]

Acid zinc plating brightener, also be used for organic synthesis, agricultural pesticide and pharmaceutical industries.
2-Chlorobenzaldehyde undergoes alkynylation with phenylacetylene in the presence of catalytic ligands and dimethylzinc at 0°C to form binaphthyl-derived amino alcohols.
2-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.
[Application]

2-Chlorobenzaldehyde is used acid zinc plating brightener, also be used for organic synthesis, agricultural pesticide and pharmaceutical industries. It is used to synthesize the acaricides clofentezine and flutenzine. 2-Chlorobenzaldehyde undergoes alkynylation with phenylacetylene in the presence of catalytic ligands and dimethylzinc at 0°C to form binaphthyl-derived amino alcohols.
[Preparation]

2-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
[Synthesis Reference(s)]

Tetrahedron Letters, 34, p. 8037, 1993 DOI: 10.1016/S0040-4039(00)61444-2
[Health Hazard]

Symptoms of exposure to 2-Chlorobenzaldehyde may include skin, eye and upper respiratory tract irritation.  This compound may cause skin, eye and respiratory tract irritation. When heated to decomposition it emits toxic fumes. 
[Purification Methods]

Wash it with 10% Na2CO3 solution, then fractionally distil it in the presence of a small amount of catechol as stabiliser. [Beilstein 7 H 233, 7 IV 561.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chlorobenzaldehyde(89-98-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chlorobenzaldehyde(89-98-5)MS
2-Chlorobenzaldehyde(89-98-5)1HNMR
2-Chlorobenzaldehyde(89-98-5)13CNMR
2-Chlorobenzaldehyde(89-98-5)IR1
2-Chlorobenzaldehyde(89-98-5)IR2
2-Chlorobenzaldehyde(89-98-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chlorobenzaldehyde, 99%(89-98-5)
[Alfa Aesar]

2-Chlorobenzaldehyde, 97%(89-98-5)
[Sigma Aldrich]

89-98-5(sigmaaldrich)
[TCI AMERICA]

2-Chlorobenzaldehyde,>97.0%(GC)(89-98-5)
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