CAS 607-68-1 2,4-Dichloroquinazoline (HCID 252886)

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Basic information

CAS: 607-68-1
Standard SMILES: Clc1nc(Cl)c2ccccc2n1
InChIKey: TUQSVSYUEBNNKQ-UHFFFAOYSA-N
Molecular formula: C8H4Cl2N2
Average molar mass: 199.03 g/mol
Monoisotopic mass: 197.97515349

Names & identifiers

Preferred name: 2,4-Dichloroquinazoline
IUPAC: 2,4-dichloroquinazoline
English name: 2,4-Dichloroquinazoline
Molecular formula: C8H4Cl2N2
Molecular weight: 199.04

Names & synonyms

2,4-dichloroquinazoline607-68-1DTXSID30291383RefChem:82398DTXCID80242527612-020-22,4-dichloro-quinazolineQuinazoline, 2,4-dichloro-dichloroquinazolineMFCD000919502,4dichloroquinazolineNSC75192

Show more names

DCQZLoroquinazoLIFLAB-BB F2108-00572，4-DICLOROQUINAZOL2,4-Dichloroquinazol2,4-Dichloroquizoline2,4-Dichloroquinazoline(DCQ)2,4-Dichloroquinazoline ,98%

2, 4-dichloro-quinazolineSCHEMBL92707SCHEMBL29389300TUQSVSYUEBNNKQ-UHFFFAOYSA-CS-D0819AC-712NSC-75192NSC827341

Database identifiers

CAS: 607-68-1
PubChem CID: 252886
DTXSID: DTXSID30291383
EC Number: 612-020-2
Nikkaji: J134.671G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 119.5 °C · 119.5 °C(Solv: benzene (71-43-2))
Boiling point: 273.3 · 273.3±23.0 °C(Predicted)
Density: 1.486 · 1.486±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: -0.43 · -0.43±0.30(Predicted)
form: powder
color: Yellow
InChI: InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
InChIKey: TUQSVSYUEBNNKQ-UHFFFAOYSA-N
SMILES: N1=C2C(C=CC=C2)=C(Cl)N=C1Cl
CAS DataBase Reference: 607 · 607-68-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (20%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.