4-(Methylsulphonyl)phenylhydrazine

HCID 70142

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Basic information

CAS: 17852-67-4
Standard SMILES: CS(=O)(=O)c1ccc(NN)cc1
InChIKey: ZHYAENSFCNMJQQ-UHFFFAOYSA-N
Molecular formula: C7H10N2O2S
Average molar mass: 186.23 g/mol
Monoisotopic mass: 186.04629856

Names & identifiers

Preferred name: 4-(Methylsulphonyl)phenylhydrazine
IUPAC: (4-methylsulfonylphenyl)hydrazine
English name: [4-(Methylsulfonyl)phenyl]hydrazine hydrochloride
Molecular formula: C7H10N2O2S
Molecular weight: 186.23

Names & synonyms

877-66-74-(Methylsulphonyl)phenylhydrazineEINECS 212-895-7p-(Methylsulfonyl)phenylhydrazineRefChem:516393212-895-7(4-(Methylsulfonyl)phenyl)hydrazine4-(METHYLSULFONYL)PHENYLHYDRAZINE(4-methylsulfonylphenyl)hydrazine(4-methanesulfonylphenyl)hydrazineHydrazine, [4-(methylsulfonyl)phenyl]-[4-(methylsulfonyl)phenyl]hydrazine

Show more names

TIMTEC-BB SBB003335(4-mesylphenyl)hydrazine4-METHYLSULPHONYLPHENYLHYDRAZINE4-MethylsulfonylphenylhydrazineHCl[p-(Methylsulfonyl)phenyl]hydrazine1-[4-(Methylsulfonyl)phenyl]hydrazine4-METHYLSULPHONYLPHENYLHYDRAZINE HYDROCHLORIDE4-(METHYLSULFONYL)PHENYLHYDRAZINE HYDROCHLORIDE

MFCD000075804-Methylsulfonylphenylhydrazine(4-methanesulfonyl-phenyl)-hydrazineAS-49508EN300-36377Z316087984GERANICACIDCelogen TSH-C

Database identifiers

CAS: 17852-67-4、877-66-7
PubChem CID: 70142
DTXSID: DTXSID30939096
EC Number: 212-895-7
Nikkaji: J124.085D

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 202 °C · 202 °C
Boiling point: 418.7 · 418.7±37.0 °C(Predicted)
Density: 1.351 · 1.351±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 3.97 · 3.97±0.20(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C7H10N2O2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3
InChIKey: ZHYAENSFCNMJQQ-UHFFFAOYSA-N
SMILES: N(C1=CC=C(S(C)(=O)=O)C=C1)N
CAS DataBase Reference: 877 · 877-66-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Hazard Codes: Xi
Safety Statements: 24 · 24/25
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c