4-Chloro-6,7,8-trimethoxyquinazoline

HCID 100686
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Basic information

CAS
33371-00-5
Standard SMILES
COc1cc2c(Cl)ncnc2c(OC)c1OC
InChIKey
BIICRHXSGPYQOV-UHFFFAOYSA-N
Molecular formula
C11H11ClN2O3
Average molar mass
254.67 g/mol
Monoisotopic mass
254.04581989

Names & identifiers

Preferred name
4-Chloro-6,7,8-trimethoxyquinazoline
IUPAC
4-chloro-6,7,8-trimethoxyquinazoline
English name
4-chloro-6,7,8-trimethoxyquinazoline
Molecular formula
C11H11ClN2O3
Molecular weight
254.67

Names & synonyms

4-Chloro-6,7,8-trimethoxyquinazoline33371-00-5EINECS 251-481-0DTXSID60186995NSC 345681RefChem:98473DTXCID00109486251-481-0Quinazoline, 4-chloro-6,7,8-trimethoxy-MFCD098344243F9BXQ4BGKNSC-345681
Show more names
4-Chloro-6,7,8-trimethoxy-quinazolineNSC345681UNII-3F9BXQ4BGKSCHEMBL856422AKOS016007656AC-23719SY526626CS-0451261

Database identifiers

CAS
33371-00-5
PubChem CID
100686
DTXSID
DTXSID60186995
UNII
3F9BXQ4BGK
EC Number
251-481-0
Nikkaji
J308.478G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
53.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
101 · 101-103 °C(Solv: ligroine (8032-32-4))
Boiling point
60 · 60-90 °C
Density
1.313 · 1.313±0.06 g/cm3(Predicted)
storage temp.
Store at Room Tem.
pka
0.37 · 0.37±0.30(Predicted)
FDA UNII
3 F9BXQ4BGK · 3F9BXQ4BGK

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers28 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070

Related reactions

13 records
New reaction record

Compound notes

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