CAS 122-35-0 2-Phenoxypropanoyl chloride (HCID 95436)

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Basic information

CAS: 122-35-0
Standard SMILES: CC(Oc1ccccc1)C(=O)Cl
InChIKey: BDSSZTXPZHIYHM-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: 2-Phenoxypropanoyl chloride
IUPAC: 2-phenoxypropanoyl chloride
English name: 2-Phenoxypropionyl chloride
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

2-Phenoxypropionyl chloride122-35-02-Phenoxypropanoyl chloridePropanoyl chloride, 2-phenoxy-2-Phenoxypropionic acid chloridealpha-Phenoxypropionyl chloridePropionyl chloride, 2-phenoxy-.alpha.-Phenoxypropionyl chloride56X8A108HGNSC 9825NSC-9825EINECS 204-536-8

Show more names

2-PHENOXYPROPANOYLCHLORIDEα-Phenoxypropionyl chloride2-PhenoxypropionylChloride>Propionyl chloride, 2-phenoxy-2-PHENOXYPROPIONYL CHLORIDE 95+%2-PHENOXYPROPIONYL CHLORIDE ISO 9001：2015 REACH

AI3-22411DTXSID508704772-PHENOXYPROPIONOYL CHLORIDERefChem:477961DTXCID50818197Propionyl chloride, 2-phenoxy-(8CI)2-PHENOXYPROPANOYL CHLORIDE, (+-)-204-536-8

Database identifiers

CAS: 122-35-0
PubChem CID: 95436
DTXSID: DTXSID50870477
UNII: 56X8A108HG
EC Number: 204-536-8
Nikkaji: J71.650B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 246 °C · 246°C
Density: 1 · 1,18 g/cm3
refractive index: 1.5132 · 1.5132
Flash point: 100 °C · >100°C
form: clear liquid
Specific Gravity: 1.18 · 1.18
color: Colorless to Light yellow to Light orange
Sensitive: Moisture Sensitive
BRN: 639419 · 639419
CAS DataBase Reference: 122 · 122-35-0(CAS DataBase Reference)
FDA UNII: 56 X8A108HG · 56X8A108HG
EPA Substance Registry System: 2 · Propanoyl chloride, 2-phenoxy- (122-35-0)
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

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.