2-Chlorobenzaldehyde

HCID 6996CAS 35913-09-8

Basic information

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 properties

XLogP
2.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

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.)

Safety & regulation

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

Chemistry & industry

Applications · 3 items

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 · 1 item

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

Suppliers50 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

505 records

Linked notes

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