Ethyl 2-(chloromethyl)benzoate

HCID 12937460
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Basic information

CAS
1531-78-8
Standard SMILES
CCOC(=O)c1ccccc1CCl
InChIKey
QQOVRPBUAUNBAV-UHFFFAOYSA-N
Molecular formula
C10H11ClO2
Average molar mass
198.64 g/mol
Monoisotopic mass
198.04475727

Names & identifiers

Preferred name
Ethyl 2-(chloromethyl)benzoate
IUPAC
ethyl 2-(chloromethyl)benzoate
English name
Ethyl 2-chloromethylbenzoate
Molecular formula
C10H11ClO2
Molecular weight
198.65

Names & synonyms

Ethyl 2-chloromethylbenzoate1531-78-8ethyl 2-(chloromethyl)benzoateETHYLO-(CHLOROMETHYL)BENZOATEMFCD00053935o-(chloromethyl)benzoic Acid Ethyl EsterBenzoic acid, 2-(chloromethyl)-, ethyl esterethyl 2-chloromethyl-benzoateSCHEMBL2825239DTXSID30513436QQOVRPBUAUNBAV-UHFFFAOYSA-NAKOS006275395
Show more names
2-CARBETHOXYBENZYL CHLORIDEETHYL O-(CHLOROMETHYL)BENZOATE2-(chloromethyl)benzoic acid ethyl ester
2-chloromethyl-benzoic acid ethyl esterAS-12693DB-000661

Database identifiers

CAS
1531-78-8
PubChem CID
12937460
DTXSID
DTXSID30513436
Nikkaji
J33.619J

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point
140 °C · 140 °C(Press: 14 Torr)
Density
1.158 · 1.158
HS Code
2916399090 · 2916399090

Safety & regulation

Safety data

hs_code
2916399090

Chemistry & industry

Suppliers20 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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