Benzoyl chloride, 3,4-dichloro- (HCID 76403)

Names & identifiers

Preferred name: Benzoyl chloride, 3,4-dichloro-
IUPAC: 3,4-dichlorobenzoyl chloride
English name: 3,4-Dichlorobenzoyl chloride
Molecular formula: C7H3Cl3O
Molecular weight: 209.46

Names & synonyms

3,4-Dichlorobenzoyl chloride3024-72-4Benzoyl chloride, 3,4-dichloro-EINECS 221-177-2AI3-14891DTXSID2062793RefChem:566452DTXCID2038156221-177-23,4-DichlorobenzoylchlorideMFCD000006723,4-dichloro-benzoyl chloride

Show more names

3,4-DCOC3,4-Dichlorobenzoyl3,4-dichloro-benzoylchlorid3, 4-Dichlorobenzoil chloride3,4- twochloro benzoyl chloride3,4-dichlorobenzeneformylchloro3,4-Dichlorobenzoyl chloride,97%3,4-Dichlorobenzoyl Chloride >

3,4-dichloro-1-benzenecarbonyl chloride3,4-dichloro benzoyl chlorideSY2S6RQL6Y3,4dichlorobenzoyl chloride3,4-dichlorobenzoyl-chlorideSCHEMBL110094SCHEMBL29514652CAA90560

Database identifiers

CAS: 3024-72-4
PubChem CID: 76403
DTXSID: DTXSID2062793
UNII: SY2S6RQL6Y
EC Number: 221-177-2
Nikkaji: J149.673E

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 30 · 30-33 °C (lit.)
Boiling point: 242 °C · 242 °C (lit.)
Density: 1.5078 · 1.5078 (estimate)
Flash point: 288 °F · 288 °F
storage temp.: 2 · Storage temp. 2-8°C
solubility: Chloroform (Soluble)
form: Crystalline Low Melting Solid
color: White to yellow
Sensitive: Moisture Sensitive
BRN: 607485 · 607485
Stability: Hygroscopic, Moisture Sensitive
InChI: 1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc(Cl)c(Cl)c1
CAS DataBase Reference: 3024 · 3024-72-4(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Benzoyl chloride, 3,4-dichloro-(3024-72-4)
EPA Substance Registry System: 3 · Benzoyl chloride, 3,4-dichloro- (3024-72-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21-19
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163990 · 29163990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

Aggregated GHS information provided per 94 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Benzoyl chloride, 3,4-dichloro-

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

F: 10-21-19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29163990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 3,4-dichloro-: ACTIVE

Applications

Uses3,4-Dichlorobenzoyl Chloride was used in the synthesis of 3,4-Dichlorophenylacetic Acid by Arndt-Eistert method. It is prepared by refluxing 3,4-Dichlorobenzoic Acid with Thionyl Chloride.

General Description3,4-Dichlorobenzoyl chloride was used in the synthesis of 3,4-dichlorophenylacetic acid by Arndt-Eistert method. It is prepared by refluxing 3,4-dichlorobenzoic acid with thionyl chloride.