CAS 75712-74-2 4-Chloro-2,5-dimethylpyrimidine (HCID 12465381)

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Basic information

CAS: 75712-74-2
Standard SMILES: Cc1ncc(C)c(Cl)n1
InChIKey: QOKSKBJSPUYZAL-UHFFFAOYSA-N
Molecular formula: C6H7ClN2
Average molar mass: 142.58 g/mol
Monoisotopic mass: 142.0297759

Names & identifiers

Preferred name: 4-Chloro-2,5-dimethylpyrimidine
IUPAC: 4-chloro-2,5-dimethylpyrimidine
English name: 4-Chloro-2,5-dimethylpyrimidine
Molecular formula: C6H7ClN2
Molecular weight: 142.59

Names & synonyms

4-Chloro-2,5-dimethylpyrimidine75712-74-2DTXSID80499337RefChem:291377DTXCID00450147860-174-6MFCD097544554-Chloro-2,5-dimethyl-pyrimidineSCHEMBL3712628BS-35954SY1015794-Chloro-2,5-dimethylpyrimidine, AldrichCPR

Show more names

Pyrimidine, 4-chloro-2,5-dimethyl-4-chloro-2,5-dimethylpyrimidine(SALTDATA: FREE)Pyrimidine, 4-chloro-2,5-dimethyl- (9CI) ISO 9001：2015 REACH

CS-0045694FT-0716001Pyrimidine, 4-chloro-2,5-dimethyl- (9CI)QOKSKBJSPUYZAL-UHFFFAOYSA-NAKOS006283020AB51539DA-18564Pyrimidine,4-chloro-2,5-dimethyl-(9ci)

Database identifiers

CAS: 75712-74-2
PubChem CID: 12465381
DTXSID: DTXSID80499337
EC Number: 860-174-6

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Boiling point: 82 · 82-83℃ (17.5 Torr)
Density: 1.184 · 1.184±0.06 g/cm3(Predicted)
refractive index: 1.5181 · 1.5181 (589.3 nm 20℃)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.86 · 0.86±0.29(Predicted)
form: solid
InChI: 1S/C6H7ClN2/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3
InChIKey: QOKSKBJSPUYZAL-UHFFFAOYSA-N
SMILES: ClC(N=C(C)N=C1)=C1C
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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