p-Chlorophenoxyacetyl chloride

HCID 77771
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
4122-68-3
Standard SMILES
O=C(Cl)COc1ccc(Cl)cc1
InChIKey
VRBVHQUSAOKVDH-UHFFFAOYSA-N
Molecular formula
C8H6Cl2O2
Average molar mass
205.03 g/mol
Monoisotopic mass
203.9744848

Names & identifiers

Preferred name
p-Chlorophenoxyacetyl chloride
IUPAC
2-(4-chlorophenoxy)acetyl chloride
English name
4-Chlorophenoxyacetyl chloride
Molecular formula
C8H6Cl2O2
Molecular weight
205.04

Names & synonyms

p-Chlorophenoxyacetyl chlorideEINECS 223-923-2DTXSID60194151NSC 20549RefChem:858030DTXCID70116642223-923-24-Chlorophenoxyacetyl chloride4122-68-32-(4-chlorophenoxy)acetyl chloride(4-Chlorophenoxy)acetyl chlorideMFCD00000727
Show more names
2-(4-Chlorophenoxy)TIMTEC-BB SBB0099594-Chlorophenoxyacetyl4-ChlorophenoxyacetylChloro4-CHLOROPHENOXYACETYL CHLRORIDE4-chlorophenyloxyacetyl chloride4-Chlorophenoxyacetyl chloride 98%
Acetyl chloride, (4-chlorophenoxy)-PZT4V53U3LNSC-205494-chlorophenoxyacetylchlorideUNII-PZT4V53U3LSCHEMBL105460(4chlorophenoxy)acetyl chloride(p-Chlorophenoxy)acetyl chloride

Database identifiers

CAS
4122-68-3
PubChem CID
77771
DTXSID
DTXSID60194151
UNII
PZT4V53U3L
EC Number
223-923-2
Nikkaji
J150.883K

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
18.8 °C · 18.8 °C (lit.)
Boiling point
142 °C/17 · 142 °C/17 mmHg (lit.)
Density
1.314 g/mL · 1.314 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.5486(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

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 44 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 CategoriesSkin Corr. 1C (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29189900
risk_code
34
Signal word
Danger

Chemistry & industry

Applications

Uses4-Chlorophenoxyacetyl chloride was used in the preparation of:substituted acetophenone derivatives2-(4-chlorophenoxyacetylamino)-3-ethoxycarbonyl[2,3-b]quinuclidine2-(4-chlorophenoxy)-N′-[2-(4-chlorophenoxy)acetyl]acetohydrazide monohydrate

Upstream & downstream products

Suppliers92 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

88 records
New reaction record

Compound notes

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