Hydratropoyl chloride

HCID 2760403CAS 22414-26-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C(=O)Cl)c1ccccc1
InChIKey: FOTITZRWZUAVPH-UHFFFAOYSA-N
Molecular formula: C9H9ClO
Average molar mass: 168.62 g/mol
Monoisotopic mass: 168.03419259

Names & identifiers

Preferred name: Hydratropoyl chloride
IUPAC: 2-phenylpropanoyl chloride
English name: 2-Phenyl-propionyl chloride
Molecular formula: C9H9ClO
Molecular weight: 168.62

Names & synonyms

Hydratropoyl chlorideRefChem:788603625-056-92-phenylpropanoyl chloride22414-26-22-Phenylpropionyl chloride2-Phenyl-propionyl chlorideMFCD034247232-Phenylpropanoylchloride2-phenylpropionic acid chlorideSCHEMBL720886DTXSID20375141

Show more names

2-phenylpropenyl chlorideBenzeneacetyl chloride, α-methyl-2-Phenyl-propionyl chloride ISO 9001：2015 REACH

alpha-phenylpropionic acid chloride2-Phenylpropionyl chloride, >=95%AKOS006282315FS-6051(+/-)-2-phenylpropionic acid chlorideF014722

Database identifiers

CAS: 22414-26-2
PubChem CID: 2760403
DTXSID: DTXSID20375141
EC Number: 625-056-9
Nikkaji: J1.181.610J

Properties

Computed structural properties

XLogP: 2.9
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: 138

Physicochemical properties

Melting point: 112 · 112-114 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Boiling point: 98 · 98-100 °C(Press: 15 Torr)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
BRN: 1938154 · 1938154
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8 / PGII
WGK Germany: 3 · 3
HazardClass: 8 · 8
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

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

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk: 3
ridadr: UN 3265 8 / PGII
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
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)
Precautionary statements: P280-P305+P351+P338-P310