2,4-Dichlorobenzoyl chloride

HCID 66645CAS 89-75-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cl)c1ccc(Cl)cc1Cl
InChIKey
CEOCVKWBUWKBKA-UHFFFAOYSA-N
Molecular formula
C7H3Cl3O
Average molar mass
209.5 g/mol
Monoisotopic mass
207.92494776

Names & identifiers

Preferred name
2,4-Dichlorobenzoyl chloride
IUPAC
2,4-dichlorobenzoyl chloride
English name
2,4-Dichlorobenzoyl chloride
Molecular formula
C7H3Cl3O
Molecular weight
209.46

Names & synonyms

2,4-Dichlorobenzoyl chloride89-75-8Benzoyl chloride, 2,4-dichloro-DTXSID2052603EINECS 201-936-4CCRIS 8616AI3-14890DTXCID6031176EC 201-936-4RefChem:443457Benzoyl chloride, 2,4dichloro201-936-4
Show more names
2,4-DichlorobenzoylDCOC2,4-DCOCBUTTPARK 45\07-362,4-DichlorbenzoylchloridDICHLOROBENZOYLCHLORIDE-2,42,4-dichloro-benzoylchlorid4-DichlorobenzoylChloride99%DICHLOROBENZOYLCHLORIDE(3,5-)
MFCD000006612,4-dichlorobenzene-1-carbonyl chlorideo,p-dichlorobenzoyl chloride2,4-dichloro-benzoyl chloride2,4-DichlorobenzoylchlorideWWA3MW5SL52,4-dichloro benzoylchloride2.4-dichlorobenzoyl chloride

Database identifiers

CAS
89-75-8
PubChem CID
66645
DTXSID
DTXSID2052603
ChEMBL
CHEMBL3561077
UNII
WWA3MW5SL5
EC Number
201-936-4
Nikkaji
J1.173H

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionColorless solid or liquid; mp = 21 deg C; [Acros Organics MSDS]

Physicochemical properties

Melting point
16 · 16-18 °C (lit.)
Boiling point
150 °C/34 · 150 °C/34 mmHg (lit.)
Density
1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
vapor pressure
0.1 mm · 0.1 mm Hg ( 32 °C)
refractive index
20 · n20/D 1.592(lit.)
Flash point
280 °F · 280 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzoyl chloride, 2,4-dichloro-

Status: Active Update: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5926

2,4-Dichlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryHydrolyzed by water or moisture producing gaseous and aqueous hydrogen chloride; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Acros Organics MSDS] See Benzoyl chloride.
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10-19-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
DM6636766
ridadr
UN 3265 8/PG 2

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 2,4-dichloro-: ACTIVE

Applications

Uses2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.

Upstream & downstream products

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

406 records
New reaction record

Linked notes

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