3,5-Dichlorobenzoyl chloride (HCID 76191)

Names & identifiers

Preferred name: 3,5-Dichlorobenzoyl chloride
IUPAC: 3,5-dichlorobenzoyl chloride
English name: 3,5-Dichlorobenzoyl chloride
Molecular formula: C7H3Cl3O
Molecular weight: 209.46

Names & synonyms

3,5-Dichlorobenzoyl chloride2905-62-6Benzoyl chloride, 3,5-dichloro-DTXSID1027506EINECS 220-813-6RH-24,2993,5-DICHLOROBENZOIC ACID CHLORIDEJ149.672GDTXCID107506S09182623NEC 220-813-6RefChem:486757

Show more names

DCBC3,5-DichlorobenzoylSKL1308BUTTPARK 45\07-363,5 Dicloro Benzoyl Cloride3,5-dichloro-benzoylchloridDICHLOROBENZOYLCHLORIDE(3,5-)3,5-dichlorobenzeneformylchloro

220-813-6MFCD000098173,5-dichlorobenzoylchlorideUNII-S09182623NSCHEMBL932823,5-dichloro-benzoyl chlorideCHEMBL3184849Tox21_200629

Database identifiers

CAS: 2905-62-6
PubChem CID: 76191
DTXSID: DTXSID1027506
ChEMBL: CHEMBL3184849
UNII: S09182623N
EC Number: 220-813-6
Nikkaji: J149.672G

Properties

Computed structural properties

XLogP: 3.7
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: 150

Physicochemical properties

Melting point: 28 °C · 28 °C (lit.)
Boiling point: 135 · 135-137 °C/25 mmHg (lit.)
Density: 135 · 135
vapor pressure: 0.1 mm · 0.1 mm Hg ( 32 °C)
refractive index: 20 · n20/D 1.582(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator (+4°C)
solubility: soluble in Benzene,Toluene
form: powder to lump to clear liquid
color: White or Colorless to Almost white or Almost colorless
Sensitive: Moisture Sensitive
BRN: 1940681 · 1940681
InChI: 1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
InChIKey: GGHLXLVPNZMBQR-UHFFFAOYSA-N
SMILES: ClC(=O)c1cc(Cl)cc(Cl)c1
LogP: 3.32 · 3.32
CAS DataBase Reference: 2905 · 2905-62-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9182623 N · S09182623N
NIST Chemistry Reference: 3 · 3,5-Dichlorobenzoyl chloride(2905-62-6)
EPA Substance Registry System: 3 · Benzoyl chloride, 3,5-dichloro- (2905-62-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 6636766 · DM6636766
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163900 · 29163900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1C
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: DM6636766
ridadr: UN 3261 8/PG 2
hs_code: 29163900
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H302-H314
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1C
Precautionary statements: P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

Uses3,5-Dichlorobenzoyl chloride is a useful intermediate for organic synthesis and other pharmaceutical processes.

Uses3,5-Dichlorobenzoyl chloride has been used in the preparation of:N-(1,1-dimethylpropynyl)-3,5-dichlorobenzamide, herbicide(3,5-dichlorophenyl)(2-(4-methoxyphenyl)-5-methylbenzofuran-3-yl)methanone