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ethyl 2-(1,3-benzothiazol-2-yl)acetate

ethyl 2-(1,3-benzothiazol-2-yl)acetate structure

CAS No:
29182-42-1
Formula:
C11H11NO2S
Chemical Name:
ethyl 2-(1,3-benzothiazol-2-yl)acetate
Synonyms:
ethyl 2-benzothiazol-2-ylacetate; Benzothiazol-2-yl-acetic acid ethyl ester; 1,3-benzothiazol-2-ylacetic acid ethyl ester; 2-(2-Benzothiazolyl)acetic Acid Ethyl Ester; 2-Benzothiazoleacetic Acid Ethyl Ester; Ethyl 2-Benzothiazoleacetate; Ethyl 2-(benzo[d]thiazol-2-yl)acetate;Expand
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ethyl 2-(1,3-benzothiazol-2-yl)acetate Basic Attributes

Molecular Weight：

221.27600

Exact Mass：

221.05104977 g/mol

NSC Number：

621357

DSSTox ID：

DTXSID30326902

HScode：

2934999090

Characteristics

PSA：

67.43000

XLogP3：

2.40190

Density：

1.26g/cm3

Boiling Point：

331ºC at 760mmHg

Flash Point：

154ºC

Refractive Index：

1.613

Vapor Pressure：

0.00016mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:221.28
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:67.4
Heavy Atom Count:15
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-(1,3-benzothiazol-2-yl)acetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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