CAS 936-47-0 5-Phenyl-4,5-dihydro-1H-pyrazole (HCID 120841)

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Basic information

CAS: 936-47-0
Standard SMILES: C1=NNC(c2ccccc2)C1
InChIKey: HNXVMLLBTMWOAM-UHFFFAOYSA-N
Molecular formula: C9H10N2
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.08439833

Names & identifiers

Preferred name: 5-Phenyl-4,5-dihydro-1H-pyrazole
IUPAC: 5-phenyl-4,5-dihydro-1H-pyrazole
English name: 4-(4-ethoxycarbonylphenyl)azobenzoic acid ethyl ester
Molecular formula: C9H10N2
Molecular weight: 146.19

Names & synonyms

5-Phenyl-4,5-dihydro-1H-pyrazole5-Phenyl-2-pyrazoline1H-Pyrazole, 4,5-dihydro-5-phenyl-DTXSID00918297RefChem:103389DTXCID401347251840-312-1936-47-03-phenyl-3,4-dihydro-2H-pyrazoleSCHEMBL1178805SCHEMBL3684839HNXVMLLBTMWOAM-UHFFFAOYSA-N

Show more names

4-(4-ethoxycarbonylphenyl)azobenzoic acid ethyl ester

AAA93647AKOS002669164AKOS016044690CS-0147993EN300-685073G54135

Database identifiers

CAS: 936-47-0
PubChem CID: 120841
DTXSID: DTXSID00918297
EC Number: 840-312-1
Nikkaji: J481.297B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 41 · 41-42 °C
Boiling point: 152.6 · 152.6-152.8 °C(Press: 15 Torr)
Density: 1.1068 g/cm3 · 1.1068 g/cm3(Temp: 15.8 °C)
pka: 4.08 · 4.08±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H335-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P