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2-Chlorobenzo[d]thiazol-5-ylMethylcarbonate

2-Chlorobenzo[d]thiazol-5-ylMethylcarbonate structure

CAS No:
90225-03-9
Formula:
C9H6ClNO2S
Chemical Name:
2-Chlorobenzo[d]thiazol-5-ylMethylcarbonate
Synonyms:
2-Chlorobenzo[d]thiazol-5-yl Methyl carbonate;JR-14062, Methyl 2-chlorobenzo[d]thiazole-5-carboxylate, 95%;methyl 2-chloro-1,3-benzothiazole-5-carboxylate;5-Benzothiazolecarboxylic acid, 2-chloro-, methyl ester;2-Chlorobenzothiazole-5-carboxylic acid methyl ester;methyl 2-chlorobenzo[d]thiazole-5-carboxylate

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2-Chlorobenzo[d]thiazol-5-ylMethylcarbonate Basic Attributes

Molecular Weight：

227.67

Exact Mass：

226.9807773

HScode：

2934200090

Characteristics

PSA：

67.43000

XLogP3：

2.73630

Density：

1.458±0.06 g/cm3

Melting Point：

151-153 °C

Boiling Point：

327.7±15.0 °C(Predicted)

PKA：

-1.17±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:227.67
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:226.9807773
Monoisotopic Mass:226.9807773
Topological Polar Surface Area:67.4
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chlorobenzo[d]thiazol-5-ylMethylcarbonate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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