p-Pentoxybenzoyl chloride

HCID 94910

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Substructure search Find similar structures

Basic information

CAS: 36823-84-4
Standard SMILES: CCCCCOc1ccc(C(=O)Cl)cc1
InChIKey: IBQDPNHVFRFCFK-UHFFFAOYSA-N
Molecular formula: C12H15ClO2
Average molar mass: 226.7 g/mol
Monoisotopic mass: 226.0760574

Names & identifiers

Preferred name: p-Pentoxybenzoyl chloride
IUPAC: 4-pentoxybenzoyl chloride
English name: 4-n-Pentyloxybenzoyl chloride
Molecular formula: C12H15ClO2
Molecular weight: 226.7

Names & synonyms

4-(pentyloxy)benzoyl chlorideBenzoyl chloride, 4-(pentyloxy)-p-Pentoxybenzoyl chloride4-Pentyloxybenzoyl chloridep-(Pentyloxy)benzoyl chloridep-Pentyloxybenzoyl chloride4-n-Amyloxybenzoyl chloride7106R4S2ORNSC 7951NSC-7951EINECS 253-230-0UNII-7106R4S2OR

Show more names

4-amoxybenzoyl chloride4-pentoxybenzoyl chloride4-(pentyloxy)-benzoylchlorid4-n-Pentyloxybenzoyl chloride4-Pentyloxybenzoyl chloride,99%

DTXSID20680024-(AMYLOXY)BENZOYL CHLORIDEBENZOYL CHLORIDE, P-PENTYLOXY-4-PENTYLOXYBENZOIC ACID CHLORIDERefChem:169372DTXCID3039242IBQDPNHVFRFCFK-UHFFFAOYSA-N36823-84-4

Database identifiers

CAS: 36823-84-4
PubChem CID: 94910
DTXSID: DTXSID2068002
UNII: 7106R4S2OR
EC Number: 253-230-0
Nikkaji: J28.747D

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 186

Physicochemical properties

Boiling point: 160 °C · 160 °C (6 mmHg)
Density: 1 · 1,087 g/cm3
refractive index: 1.542 · 1.542-1.544
Flash point: 110 °C · >110°C
Sensitive: Moisture Sensitive
BRN: 2937454 · 2937454
FDA UNII: 7106 R4S2OR · 7106R4S2OR
EPA Substance Registry System: 4 · Benzoyl chloride, 4-(pentyloxy)- (36823-84-4)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34-29-36
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 3265 · 3265
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29189990 · 29189990

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Peroxide Forming Chemical · 3 items

4-(pentyloxy)benzoyl chloride

D: Other compounds that may form peroxides

Kelly

Safety data

tsca: TSCA listed
ridadr: 3265
hs_code: 29189990
risk_code: 34-29-36
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a