4-Chloro-2-phenylquinazoline

HCID 80977
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6484-25-9
Standard SMILES
Clc1nc(-c2ccccc2)nc2ccccc12
InChIKey
OBHKONRNYCDRKM-UHFFFAOYSA-N
Molecular formula
C14H9ClN2
Average molar mass
240.69 g/mol
Monoisotopic mass
240.04542597

Names & identifiers

Preferred name
4-Chloro-2-phenylquinazoline
IUPAC
4-chloro-2-phenylquinazoline
English name
4-Chloro-2-phenylquinazoline
Molecular formula
C14H9ClN2
Molecular weight
240.69

Names & synonyms

4-Chloro-2-phenylquinazoline6484-25-9Am-ex-olEINECS 229-346-2OBHKONRNYCDRKM-UHFFFAOYSA-DTXSID00215132NSC 400965RefChem:98401DTXCID00137623229-346-2InChI=1/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9HOBHKONRNYCDRKM-UHFFFAOYSA-N
Show more names
AKOS 93518AM-EX-OL(R)am-ex-ol tmAM-ex-OL®4-Chloro-2-phenyl-quizoline
Quinazoline, 4-chloro-2-phenyl-4-chloro-2-phenyl-quinazoline2-PHENYL-4-CHLOROQUINAZOLINEMFCD00006713NSC-400965NSC400965phenyl-4-chloroquinazoline2-phenyl 4-chloroquinazoline

Database identifiers

CAS
6484-25-9
PubChem CID
80977
DTXSID
DTXSID00215132
UNII
2QRD56Y64F
EC Number
229-346-2
Nikkaji
J236D

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Experimental & physicochemical properties

LogP4.47

Physicochemical properties

Melting point
124 · 124-126 °C(lit.)
Boiling point
383.11 °C · 383.11°C (rough estimate)
Density
1.285 · 1.285
refractive index
1.5749 · 1.5749 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationQuinazoline, 4-chloro-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
29339980
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 2 items

UsesReactant involved in the synthesis of biologically active molecules including:Nitrotriazole amines or nitroimidazole amines for use as antitrypanosomal activity and mammalian cytotoxicityQuinazoline-containing piperazinylpyrimidine derivatives with antitumor activityQuinazoline substituted cyclopentane as HCV NS3/4A protease inhibitorsQuinazolines with antibacterial and antitumor activityAurora inhibitor MK-0457Reactant involved in Suzuki-Miyaura cross-coupling and catalyst-free / base-free water promoted nucleophilic aromatic substitution

Uses4-Chloro-2-phenylquinazoline can be involved in the synthesis of biologically active molecules including: Nitrotriazole amines or nitroimidazole amines for use as antitrypanosomal activity and mammalian cytotoxicity.

Upstream & downstream products

Suppliers79 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

58 records
New reaction record

Compound notes

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