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methyl2-chlorobenzo[d]thiazole-6-carboxylate

methyl2-chlorobenzo[d]thiazole-6-carboxylate structure

CAS No:
90792-69-1
Formula:
C9H6ClNO2S
Chemical Name:
methyl2-chlorobenzo[d]thiazole-6-carboxylate
Synonyms:
Methyl 2-Chlorobenzothiazole-6-carboxylate;methyl 2-chloro-1,3-benzothiazole-6-carboxylate;2-Chloro-6-benzothiazolecarboxylic acid methyl ester;2-Chloro-benzothiazole-6-carboxylic acid Methyl ester;methyl 2-chlorobenzo[d]thiazole-6-carboxylate;6-Benzothiazolecarboxylic acid, 2-chloro-, methyl ester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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methyl2-chlorobenzo[d]thiazole-6-carboxylate Basic Attributes

Molecular Weight：

227.67

Exact Mass：

226.9807773

DSSTox ID：

DTXSID80677259

HScode：

2934200090

Characteristics

PSA：

67.43000

XLogP3：

2.73630

Density：

1.458

Melting Point：

131℃

Boiling Point：

327.7±15.0 °C(Predicted)

Flash Point：

151.988ºC

Refractive Index：

1.654

PKA：

-1.43±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 methyl2-chlorobenzo[d]thiazole-6-carboxylate

Basic Attributes
Characteristics
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