CAS 77992-44-0 5-Bromo-2-hydrazinopyridine (HCID 11535699)

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Basic information

CAS: 77992-44-0
Standard SMILES: NNc1ccc(Br)cn1
InChIKey: QYQLEYTXFMOLEI-UHFFFAOYSA-N
Molecular formula: C5H6BrN3
Average molar mass: 188.03 g/mol
Monoisotopic mass: 186.97450929

Names & identifiers

Preferred name: 5-Bromo-2-hydrazinopyridine
IUPAC: (5-bromo-2-pyridinyl)hydrazine
English name: 5-Bromo-2-hydrazinopyridine
Molecular formula: C5H6BrN3
Molecular weight: 188.03

Names & synonyms

5-Bromo-2-hydrazinopyridineRefChem:533231684-988-477992-44-0(5-bromopyridin-2-yl)hydrazine5-bromo-2-hydrazinylpyridine(5-Bromo-pyridin-2-yl)-hydrazine(5-bromo-2-pyridyl)hydrazineMFCD005134245-bromo-pyridin-2-yl-hydrazine2-Hydrazino-5-bromopyridinePYRIDINE, 5-BROMO-2-HYDRAZINO-

Show more names

5-bromo-2-hydrazineylpyridine5-Brom-2-hydrazinylpyridin5-Bromo-2-hydrazinepyridinePyridine,5-bromo-2-hydrazinyl-5-broMo-2-hydrazinylpyriMidineN-(5-Bromo-2-pyridyl)hydrazine

2(1H)-Pyridinone, 5-bromo-, hydrazone5-bromo-2-pyridylhydrazine5-bromopyridin-2-ylhydrazineSCHEMBL2465075bromo-pyridin-2-yl-hydrazine5-Bromopyridin-2-yl-hydrazine5-Bromo-Pyrdin-2-yl-hydrazineSCHEMBL12874142

Database identifiers

CAS: 77992-44-0
PubChem CID: 11535699
DTXSID: DTXSID10468177
EC Number: 684-988-4
Nikkaji: J1.615.232C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 88.3

Physicochemical properties

Melting point: 132 to · 132.0 to 136.0 °C
Boiling point: 238.2 · 238.2±50.0 °C(Predicted)
Density: 1.82 · 1.82±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: powder to crystal
pka: 8.97 · 8.97±0.70(Predicted)
color: White to Light yellow to Light orange
InChI: 1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2,(H,8,9)
InChIKey: QYQLEYTXFMOLEI-UHFFFAOYSA-N
SMILES: NNc1ccc(Br)cn1
CAS DataBase Reference: 77992 · 77992-44-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 2933399990
risk_code: 25-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements

Chemistry & industry

Applications · 1 item

Uses5-Bromo-2-hydrazinopyridine serves as a derivatization reagent for the simultaneous LC-MS analysis of carboxyl and carbonyl-containing metabolites in biofluids[3]. The compound acts as a precursor for synthesizing L1 from 9,10-phenanthrene quinone, hydrazone intermediates from carbonyl compounds, and 5-bromo-7-azaindole derivatives via Fischer cyclization[1][2].