Ethyl 2-chlorobenzoate

HCID 81783
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Basic information

CAS
7335-25-3
Standard SMILES
CCOC(=O)c1ccccc1Cl
InChIKey
RETLCWPMLJPOTP-UHFFFAOYSA-N
Molecular formula
C9H9ClO2
Average molar mass
184.62 g/mol
Monoisotopic mass
184.0291072

Names & identifiers

Preferred name
Ethyl 2-chlorobenzoate
IUPAC
ethyl 2-chlorobenzoate
English name
Ethyl 2-Chlorobenzoate
Molecular formula
C9H9ClO2
Molecular weight
184.62

Names & synonyms

Ethyl 2-chlorobenzoate7335-25-3Benzoic acid, 2-chloro-, ethyl esterEINECS 230-842-6AI3-21791DTXSID60223596RefChem:594299DTXCID90146087230-842-62-Chlorobenzoic Acid Ethyl EsterEthyl O-chlorobenzoateMFCD00016338
Show more names
RARECHEM AL BI 0018ETHYL 2-CHLOROBENZOAEthyl chlorobenzoateDecitabine Impurity 72o-ChlorobenzoicAcidEsterEthyl 2-Chlorobenzoate >ETHYL 2-CHLOROBENZOATE 98%Ethyl 2-chlorobenzoate, 98+%
Ethyl-2-chlorobenzoate2-chloro-benzoic acid ethyl esterSCHEMBL406428SCHEMBL47383092-Chlorobenzoic acid, ethyl esterAC8527SBB064139AKOS004911153

Database identifiers

CAS
7335-25-3
PubChem CID
81783
DTXSID
DTXSID60223596
EC Number
230-842-6
Nikkaji
J212.333I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1311；1320；1321；1309；1317；1321；1322；1325；1341；1327；1334；1342

1343.1

1929；1952；1964；1971；1971；2007

Physicochemical properties

Boiling point
241 · 241-243 °C(lit.)
Density
1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.523(lit.)
Flash point
230 °F · >230 °F
storage temp.
Store at room temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

wgk
3
tsca
TSCA listed
hs_code
29163990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-chloro-, ethyl ester: ACTIVE

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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