CAS 2905-61-5 2,5-Dichlorobenzoyl chloride (HCID 17945)

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Basic information

CAS: 2905-61-5
Standard SMILES: O=C(Cl)c1cc(Cl)ccc1Cl
InChIKey: RSINFFVFOTUDEC-UHFFFAOYSA-N
Molecular formula: C7H3Cl3O
Average molar mass: 209.5 g/mol
Monoisotopic mass: 207.92494776

Names & identifiers

Preferred name: 2,5-Dichlorobenzoyl chloride
IUPAC: 2,5-dichlorobenzoyl chloride
English name: 2,5-DICHLOROBENZOYL CHLORIDE
Molecular formula: C7H3Cl3O
Molecular weight: 209.46

Names & synonyms

2,5-DICHLOROBENZOYL CHLORIDEBenzoyl chloride, 2,5-dichloro-2,5-dichlorobenzoic acid chlorideUNII-F7C0V01SK6F7C0V01SK6HSDB 5902EINECS 220-812-0NSC 41887NSC-41887DTXSID40626982,5-DICHLOROBENZOYL CHLORIDE [HSDB]RefChem:82811

Show more names

SKL12922,5-Dichlorobenzoyl92,5-Dichlorobenzoylchloro2,5-Dichlorobezoyl chloride2,5-dichloro-benzoyl chlorid2,5-DichlorobenzoylChloride>Benzoyl chloride, 2,5-dichloro-Benzoyl chloride, 2,5-dichloro- (6CI,7CI,8CI,9CI)

Benzoyl chloride, 2,5dichloroDTXCID3037917220-812-02905-61-5MFCD000358212,5-DichlorobenzoylchlorideIxazomib Impurity 332,5-dichlorobenzoylchoride

Database identifiers

CAS: 2905-61-5
PubChem CID: 17945
DTXSID: DTXSID4062698
UNII: F7C0V01SK6
EC Number: 220-812-0
Nikkaji: J152.929C

Properties

Computed structural properties

XLogP: 3.8
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

PesticidesPesticides -> Plant Growth Regulators

Physicochemical properties

Melting point: 30 °C · 30°C
Boiling point: 95 °C · 95°C 1mm
Density: 1.498 · 1.498±0.06 g/cm3(Predicted)
refractive index: 1.59 · 1.59
Flash point: 23 °C · 23 °C
solubility: soluble in Toluene
form: powder to lump to clear liquid
color: White or Colorless to Light orange to Yellow
InChI: 1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKey: RSINFFVFOTUDEC-UHFFFAOYSA-N
SMILES: ClC(=O)c1cc(Cl)ccc1Cl
CAS DataBase Reference: 2905 · 2905-61-5(CAS DataBase Reference)
FDA UNII

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzoyl chloride, 2,5-dichloro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesMet. Corr. 1 (25%)

Safety data

wgk: WGK 3
tsca: TSCA listed
ridadr: 3261
hs_code: 2916399090
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xn
safety_code: 36/37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H290-H314

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a plant growth regulator of soybean and sorghum seedlings; [HSDB]

Farming (Pesticides) [Category: Industry]

General Manufacturing Information · 2 items

Benzoyl chloride, 2,5-dichloro-: INACTIVE

2,5-DICHLOROBENZOYL CHLORIDE (CBC) FUNCTIONS AS A PLANT GROWTH REGULATOR IN A GASEOUS PHASE OR IN AN AQUEOUS SOLN. SORGHUM & SOYBEAN SEEDS WERE TEMPORARILY INHIBITED OR DELAYED FROM GERMINATING, BUT OVERCAME THE INHIBITION IN TIME SO THERE WAS NO SIGNIFICANT REDN IN TOTAL GERMINATION. SEEDLINGS PRODUCED FROM SORGHUM & SOYBEAN SEED, GERMINATED & GROWN IN AQUEOUS SOLN OF 35 MUG/ML CBC WERE SHORTER & WEIGHED LESS THAN CONTROL SEEDLINGS.

Applications

Uses2,5-Dichlorobenzoyl Chloride is a plant growth stimulator or regulator. A useful research chemical for organic synthesis and other chemical processes.