Basic information
- CAS
34632-69-4- Standard SMILES
CCOC(=O)c1nc(Cl)c2ccccc2n1- InChIKey
ZMAJSODACDWUAS-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.03525521
Names & identifiers
- Preferred name
- Ethyl 4-chloroquinazoline-2-carboxylate
- IUPAC
- ethyl 4-chloroquinazoline-2-carboxylate
- English name
- ETHYL 4-CHLORO-2-QUINAZOLINECARBOXYLATE
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
Ethyl 4-chloroquinazoline-2-carboxylate34632-69-4DTXSID20392838RefChem:343925DTXCID30343699822-086-6ETHYL 4-CHLORO-2-QUINAZOLINECARBOXYLATEMFCD041076452-QUINAZOLINECARBOXYLIC ACID, 4-CHLORO-, ETHYL ESTER4-Chloro-2-(ethoxycarbonyl)quinazolineSCHEMBL161315ZMAJSODACDWUAS-UHFFFAOYSA-N
Show more names
4-chloro-2-Quinazolinecarboxylic acid ethyl ester (9CI ACI)2-Quinazolinecarboxylic acid, 4-chloro-, ethyl ester (9CI, ACI)
2-ethoxycarbonyl-4-chloroquinazolineAC2318SBB098664AKOS005067022AB17516MS-1837Ethyl 4-chloro-quinazolin-2-carboxylateAC-26858
Database identifiers
- CAS
34632-69-4- PubChem CID
- 3477840
- DTXSID
DTXSID20392838- EC Number
- 822-086-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 100 · 100-101°C
- Boiling point
- 391.3 · 391.3±34.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- -0.74 · -0.74±0.30(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
- InChIKey
- ZMAJSODACDWUAS-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC=C2)=C(Cl)N=C1C(OCC)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesEthyl 4-Chloroquinazoline-2-carboxylate is a reactant used in the synthesis and evaluation of novel quinazoline-based anti-inflammatory agents acting as PDE4B inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
40 records
Compound notes
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