CAS 33863-86-4 4-Butoxybenzoyl chloride (HCID 118561)

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Basic information

CAS: 33863-86-4
Standard SMILES: CCCCOc1ccc(C(=O)Cl)cc1
InChIKey: KMGCTFHTBKBITO-UHFFFAOYSA-N
Molecular formula: C11H13ClO2
Average molar mass: 212.67 g/mol
Monoisotopic mass: 212.0604073

Names & identifiers

Preferred name: 4-Butoxybenzoyl chloride
IUPAC: 4-butoxybenzoyl chloride
English name: 4-n-Butoxybenzoyl chloride
Molecular formula: C11H13ClO2
Molecular weight: 212.67

Names & synonyms

4-Butoxybenzoyl chloride33863-86-44-n-butoxybenzoyl chlorideBenzoyl chloride, 4-butoxy-p-Butoxybenzoyl chloride3K3Z5A9NPPEINECS 251-703-6DTXSID50187496BENZOYL CHLORIDE, P-BUTOXY-RefChem:98233DTXCID60109987251-703-6

Show more names

p-Butoxybenzoyl Choride4-N-BUTYLOXYBENZOYL CHLORIDE4-Butoxybenzoic acid chloride

KMGCTFHTBKBITO-UHFFFAOYSA-N4-n-ButoxybenzoylchlorideMFCD000006894-Butoxy-benzoyl chloridep-butoxybenzoylchloride4-ButoxybenzoylchlorideUNII-3K3Z5A9NPP4-butyloxy benzoyl chloride

Database identifiers

CAS: 33863-86-4
PubChem CID: 118561
DTXSID: DTXSID50187496
UNII: 3K3Z5A9NPP
EC Number: 251-703-6
Nikkaji: J32.752B

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 160 °C8 · 160 °C8 mm Hg(lit.)
Density: 1.122 g/mL · 1.122 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5495(lit.)
Flash point: 230 °F · >230 °F
Specific Gravity: 1.122 · 1.122
Sensitive: Moisture Sensitive
BRN: 957203 · 957203
CAS DataBase Reference: 33863 · 33863-86-4(CAS DataBase Reference)
FDA UNII: 3 K3Z5A9NPP · 3K3Z5A9NPP
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 318 · H318-H314-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34-36/37

Safety & regulation

Safety data

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29189900
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H318-H314-H335
Precautionary statements: P261-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a