4-(2-Chloroethyl)phenyl methyl ether

HCID 87513
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Basic information

CAS
18217-00-0
Standard SMILES
COc1ccc(CCCl)cc1
InChIKey
PMIAMRAWHYEPNH-UHFFFAOYSA-N
Molecular formula
C9H11ClO
Average molar mass
170.63 g/mol
Monoisotopic mass
170.04984265

Names & identifiers

Preferred name
4-(2-Chloroethyl)phenyl methyl ether
IUPAC
1-(2-chloroethyl)-4-methoxybenzene
English name
1-(2-Chloroethyl)-4-methoxybenzene
Molecular formula
C9H11ClO
Molecular weight
170.64

Names & synonyms

1-(2-Chloroethyl)-4-methoxybenzene18217-00-04-(2-Chloroethyl)phenyl methyl etherEINECS 242-099-5DTXSID50171259RefChem:512354DTXCID6093750242-099-54-(2-Chloroethyl)anisoleBenzene, 1-(2-chloroethyl)-4-methoxy-p-(2-Chloro)ethyl AnisoleMFCD00044718
Show more names
P-(2-CHLORO)ETHYL ANISOLPARA-(2-CHLOROETHYL)ANISOL4-(2-Chloroethyl)anisole >1-(2-Chloroethyl)-4-methoxybenzene1-(2-Chloroethyl)-4-methoxybenzene,97%
1-(2-Chloroethyl)-4-methoxy-benzene; 2-(4-Methoxyphenyl)ethylchloride;2-(4-Methoxyphenyl)-ethylchloride1-(2-Chloroethyl)-4-methoxy-benzene4-methoxyphenethyl chloride4-methoxyphenylethyl chlorideSCHEMBL365644CHEMBL299587SCHEMBL8474430

Database identifiers

CAS
18217-00-0
PubChem CID
87513
DTXSID
DTXSID50171259
ChEMBL
CHEMBL299587
EC Number
242-099-5
Nikkaji
J73.128E

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
125 · 125-128 °C (9.7513 mmHg)
Density
1.13 · 1.13
refractive index
1.536 · 1.536-1.538
Flash point
122 °C · 122 °C
storage temp.
2 · Sealed in dry,2-8°C
solubility
Acetone, Chloroform, Dichloromethane, Ether, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesMuta. 2 (100%)

Safety data

hs_code
29093090
risk_code
68-36/37-22
Signal word
Warning
Symbol(GHS)
GHS08
hazard_code
Xn
safety_code
36/37-26

Chemistry & industry

Applications

Usesp-(2-Chloro)ethyl Anisole (cas# 18217-00-0) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers33 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

42 records
New reaction record

Compound notes

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