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Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI)

Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI) structure

CAS No:
588676-90-8
Formula:
C9H4ClFO2S
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI)
Synonyms:
IVK/1268424;Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI);3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid(SALTDATA: FREE);3-chloro-4-fluoro-2-benzothiophenecarboxylic acid;3-chloro-4-fluoro-benzothiophene-2-carboxylic acid

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Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI) Basic Attributes

Molecular Weight：

230.6432632

Exact Mass：

229.96

DSSTox ID：

DTXSID00396571

HScode：

2934999090

Characteristics

PSA：

65.5

XLogP3：

3.5

Density：

1.627g/cm3

Boiling Point：

398.2ºC at 760 mmHg

Flash Point：

194.6ºC

Refractive Index：

1.692

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:230.64
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:229.9604564
Monoisotopic Mass:229.9604564
Topological Polar Surface Area:65.5
Heavy Atom Count:14
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI)

SDS

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