Basic information
- CAS
105763-77-7- Standard SMILES
COc1ccc2nc(Cl)nc(Cl)c2c1- InChIKey
WEAMQTSRMCCGSJ-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.9857182
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-methoxyquinazoline
- IUPAC
- 2,4-dichloro-6-methoxyquinazoline
- English name
- 2,4-Dichloro-6-methoxyquinazoline
- Molecular formula
- C9H6Cl2N2O
- Molecular weight
- 229.06
Names & synonyms
2,4-Dichloro-6-methoxyquinazoline105763-77-7DTXSID60433794RefChem:246294DTXCID70384622874-549-72,4-dichloro-6-methoxy-quinazolineMFCD099548806-METHOXY-2,4-DICHLOROQUINAZOLINEQUINAZOLINE, 2,4-DICHLORO-6-METHOXY-SCHEMBL857818SCHEMBL29532068
Show more names
2,4-Dichloro-6-methoxyqui...Quinazoline,2,4-dichloro-6-methoxy-
WEAMQTSRMCCGSJ-UHFFFAOYSA-NAKOS015852157CS-W003701GS-3896PB14779SY007275EN300-3568954F092912
Database identifiers
- CAS
105763-77-7- PubChem CID
- 9991397
- DTXSID
DTXSID60433794- EC Number
- 874-549-7
- Nikkaji
- J3.059.030I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 171 °C · 171 °C
- Boiling point
- 315.9 · 315.9±24.0 °C(Predicted)
- Density
- 1.45 · 1.450
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.67 · -0.67±0.30(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
- InChIKey
- WEAMQTSRMCCGSJ-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=C(OC)C=C2)=C(Cl)N=C1Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety 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.
Safety data
- ridadr
- UN2811
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
25 records
Compound notes
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