CAS 38956-80-8 3-Hydrazinyl-6-phenylpyridazine (HCID 6409842)

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Basic information

CAS: 38956-80-8
Standard SMILES: NNc1ccc(-c2ccccc2)nn1
InChIKey: ZNGXOKMCRDQBON-UHFFFAOYSA-N
Molecular formula: C10H10N4
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.09054634

Names & identifiers

Preferred name: 3-Hydrazinyl-6-phenylpyridazine
IUPAC: (6-phenylpyridazin-3-yl)hydrazine
English name: 3-hydrazino-6-phenylpyridazine
Molecular formula: C10H10N4
Molecular weight: 186.21

Names & synonyms

38956-80-83-Hydrazinyl-6-phenylpyridazineRefChem:502250822-631-83-hydrazino-6-phenylpyridazine(6-phenylpyridazin-3-yl)hydrazineMFCD01219682pyridazine, 3-hydrazino-6-phenyl-SCHEMBL1752770CHEMBL3764140DTXSID50423366ZNGXOKMCRDQBON-UHFFFAOYSA-N

Show more names

(6-phenyl-3-pyridazinyl)hydrazinePyridazine, 3-hydrazinyl-6-phenyl-6-hydrazono-3-phenyl-1,6-dihydropyridazine3-hydrazino-6-phenylpyridazine(SALTDATA: FREE)3-hydrazino-6-phenylpyridazine(SALTDATA: FREE) ISO 9001：2015 REACH

ALBB-0145411(6-phenylpyridazin-3-yl)hydrazineSTL5730041-(6-phenylpyridazin-3-yl)hydrazineAKOS000266308BS-3640DA-183953-Hydrazino-6-phenylpyridazine, AldrichCPR

Database identifiers

CAS: 38956-80-8
PubChem CID: 6409842
DTXSID: DTXSID50423366
ChEMBL: CHEMBL3764140
EC Number: 822-631-8
Nikkaji: J868.731E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 63.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 144 °C · 144 °C
Boiling point: 350.2 · 350.2±25.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: 5.94 · 5.94±0.20(Predicted)
form: solid
InChI: 1S/C10H10N4/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8/h1-7H,11H2,(H,12,14)
InChIKey: ZNGXOKMCRDQBON-UHFFFAOYSA-N
SMILES: NNC1=NN=C(C2=CC=CC=C2)C=C1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, 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%)；Eye Dam. 1 (100%)；Carc. 2 (100%)

Safety data

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310