CAS 5767-35-1 4-Chloro-6-hydrazinylpyrimidine (HCID 247222)

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Basic information

CAS: 5767-35-1
Standard SMILES: NNc1cc(Cl)ncn1
InChIKey: NYXYZCSAJZLFEH-UHFFFAOYSA-N
Molecular formula: C4H5ClN4
Average molar mass: 144.56 g/mol
Monoisotopic mass: 144.02027384

Names & identifiers

Preferred name: 4-Chloro-6-hydrazinylpyrimidine
IUPAC: (6-chloropyrimidin-4-yl)hydrazine
English name: 4-Chloro-6-hydrazinopyrimidine
Molecular formula: C4H5ClN4
Molecular weight: 144.56

Names & synonyms

4-chloro-6-hydrazinylpyrimidineRefChem:521608814-807-84-Chloro-6-hydrazinopyrimidine5767-35-1(6-chloropyrimidin-4-yl)hydrazine4(1H)-Pyrimidinone, 6-chloro-, hydrazoneMFCD016460954-hydrazino-6-chloropyrimidineNSC61591SCHEMBL5648904-chloro-6-hydrazino-pyrimidine

Show more names

4-chloro-6-aziridinylpyrimidine(6-chloro-4-pyrimidinyl)hydrazinePyrimidine, 4-chloro-6-hydrazinyl-4-Chloro-6-hydrazinopyriMidine, 95+%4(1H)-Pyrimidinone, 6-chloro-, hydrazone (9CI)

3-Chloro-6-hydrazino-pyrimidineDTXSID002894946-chloro-4-hydrazinopyrimidine4-Chloro-6-hydrSCHEMBL300448274-chloro-6-hydrazineylpyrimidine6-chloropyrimidine-4-ylhydrazine4-Chloro-6-hydrazinopyrimidine #

Database identifiers

CAS: 5767-35-1
PubChem CID: 247222
DTXSID: DTXSID00289494
EC Number: 814-807-8
Nikkaji: J3.805.476G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 63.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 88.6

Physicochemical properties

Melting point: 164 · 164-165 °C
Boiling point: 254.8 · 254.8±50.0 °C(Predicted)
Density: 1.63 · 1.63±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 7.29 · 7.29±0.70(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 5767 · 5767-35-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.