4-Propylbenzoyl chloride

HCID 104293

Notes Reactions

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Basic information

CAS: 52710-27-7
Standard SMILES: CCCc1ccc(C(=O)Cl)cc1
InChIKey: NZYPCJXREKMMCJ-UHFFFAOYSA-N
Molecular formula: C10H11ClO
Average molar mass: 182.64 g/mol
Monoisotopic mass: 182.04984265

Names & identifiers

Preferred name: 4-Propylbenzoyl chloride
IUPAC: 4-propylbenzoyl chloride
English name: 4-n-Propylbenzoyl chloride
Molecular formula: C10H11ClO
Molecular weight: 182.65

Names & synonyms

4-Propylbenzoyl chloride4-n-Propylbenzoyl chloridep-Propylbenzoyl chlorideBenzoyl chloride, 4-propyl-DTXSID9068790NZYPCJXREKMMCJ-UHFFFAOYSA-RefChem:100424DTXCID0041270620-904-4InChI=1/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3NZYPCJXREKMMCJ-UHFFFAOYSA-N52710-27-7

Show more names

4-PropyLbenzene-1-carbonyL4-npropylbenzeneformylchloro4-n-Propylbenzoylchloride,98%p-Propylbenzoic acid chloride

4-n-PropylbenzoylchlorideMFCD000006984-propylbenzene-1-carbonyl chloride4-Propyl benzoyl chloride4-(n-propyl)benzoyl chloride4-PROPYL-BENZOYLCHLORIDSCHEMBL10196814-propyl-1-benzenecarbonyl chloride

Database identifiers

CAS: 52710-27-7
PubChem CID: 104293
DTXSID: DTXSID9068790
EC Number: 620-904-4
Nikkaji: J32.729H

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 197 · 197-198 °C
Boiling point: 135 · 135-136 °C20 mm Hg(lit.)
Density: 1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5394(lit.)
Flash point: 230 °F · >230 °F
storage temp.: RT, stored under nitrogen
form: Opalescent Liquid
Specific Gravity: 1.097 · 1.097
color: Colorless
Water Solubility: Reacts with water. Soluble in hot hexane, toluene, dichloromethane.
Sensitive: Moisture Sensitive
BRN: 2206452 · 2206452
CAS DataBase Reference: 52710 · 52710-27-7(CAS DataBase Reference)
EPA Substance Registry System: 4 · Benzoyl chloride, 4-propyl- (52710-27-7)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-EUH029
Precautionary statements: 280 · P280
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163990 · 29163990

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

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.