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2-(4-CHLOROPHENYLTHIO)NICOTINICACID

2-(4-CHLOROPHENYLTHIO)NICOTINICACID structure

CAS No:
955-54-4
Formula:
C12H8ClNO2S
Chemical Name:
2-(4-CHLOROPHENYLTHIO)NICOTINICACID
Synonyms:
BUTTPARK 15416-29;2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID;2-(4-CHLOROPHENYLTHIO)PYRIDINE-3-CARBOXYLIC ACID;2-(4-chlorophenylthio)-3-pyridine carboxylic acid;2-[(4-Chlorophenyl)sulphanyl]pyridine-3-carboxylic acid
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(4-CHLOROPHENYLTHIO)NICOTINICACID Basic Attributes

Molecular Weight：

265.71500

Exact Mass：

264.99600

DSSTox ID：

DTXSID40352378

HScode：

2933399090

Characteristics

PSA：

75.49000

XLogP3：

3.58440

Density：

1.48g/cm3

Melting Point：

218ºC

Boiling Point：

447.3ºC at 760mmHg

Flash Point：

224.3ºC

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:265.72
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:264.9964274
Monoisotopic Mass:264.9964274
Topological Polar Surface Area:75.5
Heavy Atom Count:17
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID

CAS No.: 955-54-4

Grade: Chemical Grade

Content: 95%

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Guide of 2-(4-CHLOROPHENYLTHIO)NICOTINICACID

Basic Attributes
Characteristics
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