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1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLICACID

1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLICACID structure

CAS No:
77169-12-1
Formula:
C16H12N2O2
Chemical Name:
1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLICACID
Synonyms:
VITAS-BB TBB000124;1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS B006503;1,3-diphenylpyrazole-4-carboxylic acid;BUTTPARK 145\04-52;ART-CHEM-BB B006503;1,3-diphenyl-4-pyrazolecarboxylate;1H-Pyrazole-4-carboxylicacid, 1,3-diphenyl-

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1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLICACID Basic Attributes

Molecular Weight：

264.28

Exact Mass：

264.089877630 g/mol

DSSTox ID：

DTXSID50357213

HScode：

2933199090

Characteristics

PSA：

55.12000

XLogP3：

3.23750

Boiling Point：

451.4ºC

Flash Point：

226.8ºC

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

Marks：

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:264.28
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:264.089877630
Monoisotopic Mass:264.089877630
Topological Polar Surface Area:55.1
Heavy Atom Count:20
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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