4-Ethylbenzoyl chloride (HCID 85368)

Names & identifiers

Preferred name: 4-Ethylbenzoyl chloride
IUPAC: 4-ethylbenzoyl chloride
English name: 4-Ethylbenzoyl chloride
Molecular formula: C9H9ClO
Molecular weight: 168.62

Names & synonyms

4-Ethylbenzoyl chloride16331-45-6Benzoyl chloride, 4-ethyl-EINECS 240-404-6DTXSID80167564RefChem:98896DTXCID4090055240-404-6AVTLLLZVYYPGFX-UHFFFAOYSA-NInChI=1/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H4-ethylbenzoylchloridep-ethylbenzoyl chloride

Show more names

SKL13194-EthylbenzoylTIMTEC-BB SBB006540ETHYLBENZOYL CHLORIDE4-Ethylbenzoyl chloride,97%4-Ethylbenzoic acid chloride4-ETHYLBENZOYL CHLORIDE, 98+%

4-ethylbenzene-1-carbonyl chlorideMFCD000006974-ethyl benzoyl chloride4-EthYl-Benzoyl Chloride4-ethyl benzoyl choride4-Ethylbenzoyl chloride, 97%AKOS004908205AS-31045

Database identifiers

CAS: 16331-45-6
PubChem CID: 85368
DTXSID: DTXSID80167564
EC Number: 240-404-6
Nikkaji: J202.622H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point: 235 · 235-236 °C(lit.)
Density: 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5479(lit.)
Flash point: 230 °F · >230 °F
storage temp.: RT, stored under nitrogen
form: Liquid
Specific Gravity: 1.147 · 1.147
color: Clear light yellow to yellow
Sensitive: Moisture Sensitive
BRN: 2206041 · 2206041
InChI: 1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChIKey: AVTLLLZVYYPGFX-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)C(Cl)=O
CAS DataBase Reference: 16331 · 16331-45-6(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Ethylbenzoyl chloride(16331-45-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45-25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163900 · 29163900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (56.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 98 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (56.1%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-28-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405